N-[(3S)-piperidin-3-yl]morpholine-4-carboxamide hydrochloride

• ChemBase ID: 90833
• Molecular Formular: C10H20ClN3O2
• Molecular Mass: 249.7377
• Monoisotopic Mass: 249.12440458
• SMILES: N1(C(=O)N[C@@H]2CNCCC2)CCOCC1.Cl
• Canonical SMILES: O=C(N1CCOCC1)N[C@H]1CCCNC1.Cl
• InChI: InChI=1S/C10H19N3O2.ClH/c14-10(13-4-6-15-7-5-13)12-9-2-1-3-11-8-9;/h9,11H,1-8H2,(H,12,14);1H/t9-;/m0./s1
• InChIKey: FGTLCCRTMPKZIK-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S)-piperidin-3-yl]morpholine-4-carboxamide hydrochloride
• IUPAC Traditional name: N-[(3S)-piperidin-3-yl]morpholine-4-carboxamide hydrochloride
• Synonyms: 4-{[(3S)-Piperidin-3-yl]carbamoyl}morpholine hydrochloride; (3S)-3-{[(Morpholin-4-yl)carbonyl]amino}piperidine hydrochloride; N-[(3S)-Piperidin-3-yl]morpholine-4-carboxamide hydrochloride

Database IDs

• PubChem SID: 162104828
• PubChem CID: 53256935

CALCULATED PROPERTIES

• Acid pKa: 15.30303
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.985608
• LogD (pH = 7.4): -2.9042203
• Log P: -0.810145
• Molar Refractivity: 56.8428 cm^3
• Polarizability: 22.283697 Å^3
• Polar Surface Area: 53.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant