1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one

C31H38N4O2 — CID 167460489

IUPAC1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one
SMILESCC1(C)CN(C(=O)N2CC[C@@H](N)CC2c2ccccc2)CCC1Cn1ccc(-c2ccccc2)cc1=O
InChIInChI=1S/C31H38N4O2/c1-31(2)22-34(30(37)35-18-15-27(32)20-28(35)24-11-7-4-8-12-24)17-14-26(31)21-33-16-13-25(19-29(33)36)23-9-5-3-6-10-23/h3-13,16,19,26-28H,14-15,17-18,20-22,32H2,1-2H3/t26?,27-,28?/m1/s1
InChIKeyCXRVONMFGLUVIQ-QBYNGQAISA-N
MW498.67 g/mol
LogP5.15
Rot. Bonds4

About 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one

1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one (PubChem CID 167460489) has the molecular formula C31H38N4O2 and a molecular weight of 498.67 g/mol. Its IUPAC name is 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one
PubChem CID167460489
Molecular FormulaC31H38N4O2
Molecular Weight498.67 g/mol
Exact Mass498.30
IUPAC Name1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one
SMILESCC1(C)CN(C(=O)N2CC[C@@H](N)CC2c2ccccc2)CCC1Cn1ccc(-c2ccccc2)cc1=O
InChIInChI=1S/C31H38N4O2/c1-31(2)22-34(30(37)35-18-15-27(32)20-28(35)24-11-7-4-8-12-24)17-14-26(31)21-33-16-13-25(19-29(33)36)23-9-5-3-6-10-23/h3-13,16,19,26-28H,14-15,17-18,20-22,32H2,1-2H3/t26?,27-,28?/m1/s1
InChIKeyCXRVONMFGLUVIQ-QBYNGQAISA-N
XLogP5.15
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one with MolForge

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Related Compounds

tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 167460415
3-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 165141844
3-[[7-[(2S,4S)-4-amino-2-phenylpiperidine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627595
3-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6,7-difluoroquinazolin-4-one
CID 167460376
1-[10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidine-4-carboxylic acid
CID 175786560
2-[methyl-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]amino]acetic acid
CID 175786694
2-[[7-[(2S,4R)-4-amino-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 170648747
N-[(2S,4R)-1-[(10R)-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-2-phenylpiperidin-4-yl]propanamide
CID 175835547
4-[10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370569
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
3-[[(10R)-7-[(2S,4R)-2-(3-fluorophenyl)-4-(methylamino)piperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 165142209
3-[[(10R)-7-[(2S)-4-[(2-cyclopropyl-2-oxoethyl)amino]-2-phenylpiperidine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one;nickel
CID 167460293

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The IUPAC name of 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one (CID 167460489) is 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one is CC1(C)CN(C(=O)N2CC[C@@H](N)CC2c2ccccc2)CCC1Cn1ccc(-c2ccccc2)cc1=O.
What is the InChIKey of 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one?
The InChIKey is CXRVONMFGLUVIQ-QBYNGQAISA-N. The full InChI is InChI=1S/C31H38N4O2/c1-31(2)22-34(30(37)35-18-15-27(32)20-28(35)24-11-7-4-8-12-24)17-14-26(31)21-33-16-13-25(19-29(33)36)23-9-5-3-6-10-23/h3-13,16,19,26-28H,14-15,17-18,20-22,32H2,1-2H3/t26?,27-,28?/m1/s1.
What are the key properties of 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one?
1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one has a molecular weight of 498.67 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4R)-4-amino-2-phenylpiperidine-1-carbonyl]-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyridin-2-one is sourced from PubChem (CID 167460489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).