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2-(3-phenylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 370171
Molecular Formular: C22H31N3O2
Molecular Mass: 369.50044
Monoisotopic Mass: 369.24162725
SMILES and InChIs

SMILES:
C(=O)(N1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1)N1CCCC1
Canonical SMILES:
O=C(N1CCCC1)N1CCC2(CC1)CN(C(=O)C2)CCCc1ccccc1
InChI:
InChI=1S/C22H31N3O2/c26-20-17-22(18-25(20)14-6-9-19-7-2-1-3-8-19)10-15-24(16-11-22)21(27)23-12-4-5-13-23/h1-3,7-8H,4-6,9-18H2
InChIKey:
RUJBBGHTOVLETR-UHFFFAOYSA-N

Cite this record

CBID:370171 http://www.chembase.cn/molecule-370171.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-phenylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-(3-phenylpropyl)-8-(pyrrolidine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-(3-phenylpropyl)-8-(1-pyrrolidinylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.8343449  LogD (pH = 7.4) 1.8343456 
Log P 1.8343456  Molar Refractivity 106.8001 cm3
Polarizability 41.158726 Å3 Polar Surface Area 43.86 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.23  LOG S -4.65 
Polar Surface Area 43.86 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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