1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

C32H47N3O3 — CID 146659511

IUPAC1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cn(CC2(O)CCN(C[C@H](C)CC3CCCCC3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H47N3O3/c1-24(2)33(4)31(37)29-22-35(30(36)20-28(29)27-13-9-6-10-14-27)23-32(38)15-17-34(18-16-32)21-25(3)19-26-11-7-5-8-12-26/h6,9-10,13-14,20,22,24-26,38H,5,7-8,11-12,15-19,21,23H2,1-4H3/t25-/m1/s1
InChIKeyQMSWZXPUIATRHG-RUZDIDTESA-N
MW521.75 g/mol
LogP5.43
Rot. Bonds9

About 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 146659511) has the molecular formula C32H47N3O3 and a molecular weight of 521.75 g/mol. Its IUPAC name is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID146659511
Molecular FormulaC32H47N3O3
Molecular Weight521.75 g/mol
Exact Mass521.36
IUPAC Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)N(C)C(=O)c1cn(CC2(O)CCN(C[C@H](C)CC3CCCCC3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H47N3O3/c1-24(2)33(4)31(37)29-22-35(30(36)20-28(29)27-13-9-6-10-14-27)23-32(38)15-17-34(18-16-32)21-25(3)19-26-11-7-5-8-12-26/h6,9-10,13-14,20,22,24-26,38H,5,7-8,11-12,15-19,21,23H2,1-4H3/t25-/m1/s1
InChIKeyQMSWZXPUIATRHG-RUZDIDTESA-N
XLogP5.43
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.75
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (CID 146659511) is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide is CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C[C@H](C)CC3CCCCC3)CC2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QMSWZXPUIATRHG-RUZDIDTESA-N. The full InChI is InChI=1S/C32H47N3O3/c1-24(2)33(4)31(37)29-22-35(30(36)20-28(29)27-13-9-6-10-14-27)23-32(38)15-17-34(18-16-32)21-25(3)19-26-11-7-5-8-12-26/h6,9-10,13-14,20,22,24-26,38H,5,7-8,11-12,15-19,21,23H2,1-4H3/t25-/m1/s1.
What are the key properties of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 521.75 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropyl]-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 146659511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).