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5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione

ChemBase ID: 350130
Molecular Formular: C26H32N4O6
Molecular Mass: 496.55548
Monoisotopic Mass: 496.23218476
SMILES and InChIs

SMILES:
N1(C(=O)NC(C1=O)(C1CCN(C(=O)Cc2cc(c(c(c2)OC)OC)OC)CC1)C)Cc1ccncc1
Canonical SMILES:
COc1cc(CC(=O)N2CCC(CC2)C2(C)NC(=O)N(C2=O)Cc2ccncc2)cc(c1OC)OC
InChI:
InChI=1S/C26H32N4O6/c1-26(24(32)30(25(33)28-26)16-17-5-9-27-10-6-17)19-7-11-29(12-8-19)22(31)15-18-13-20(34-2)23(36-4)21(14-18)35-3/h5-6,9-10,13-14,19H,7-8,11-12,15-16H2,1-4H3,(H,28,33)
InChIKey:
DHVZGZIGJDQZGQ-UHFFFAOYSA-N

Cite this record

CBID:350130 http://www.chembase.cn/molecule-350130.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
IUPAC Traditional name
5-methyl-3-(pyridin-4-ylmethyl)-5-{1-[2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-4-yl}imidazolidine-2,4-dione
Synonyms
5-methyl-3-(4-pyridinylmethyl)-5-{1-[(3,4,5-trimethoxyphenyl)acetyl]-4-piperidinyl}-2,4-imidazolidinedione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 15280534 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.109492  H Acceptors
H Donor LogD (pH = 5.5) 0.8911673 
LogD (pH = 7.4) 0.9989048  Log P 1.0006057 
Molar Refractivity 131.5089 cm3 Polarizability 50.90378 Å3
Polar Surface Area 110.3 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.94  LOG S -4.89 
Polar Surface Area 110.3 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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