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

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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).