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1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

C31H37N3O4 — CID 134218785

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-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(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C31H37N3O4/c1-23(2)32(3)30(37)27-21-34(29(36)20-26(27)25-12-8-5-9-13-25)22-31(38)16-18-33(19-17-31)28(35)15-14-24-10-6-4-7-11-24/h4-13,20-21,23,38H,14-19,22H2,1-3H3
InChIKeyOCDTVPBPGFPCQH-UHFFFAOYSA-N
MW515.65 g/mol
LogP3.98
Rot. Bonds8

About 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 134218785) has the molecular formula C31H37N3O4 and a molecular weight of 515.65 g/mol. Its IUPAC name is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID134218785
Molecular FormulaC31H37N3O4
Molecular Weight515.65 g/mol
Exact Mass515.28
IUPAC Name1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-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(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C31H37N3O4/c1-23(2)32(3)30(37)27-21-34(29(36)20-26(27)25-12-8-5-9-13-25)22-31(38)16-18-33(19-17-31)28(35)15-14-24-10-6-4-7-11-24/h4-13,20-21,23,38H,14-19,22H2,1-3H3
InChIKeyOCDTVPBPGFPCQH-UHFFFAOYSA-N
XLogP3.98
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.65
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (CID 134218785) is 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-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(=O)CCc3ccccc3)CC2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is OCDTVPBPGFPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O4/c1-23(2)32(3)30(37)27-21-34(29(36)20-26(27)25-12-8-5-9-13-25)22-31(38)16-18-33(19-17-31)28(35)15-14-24-10-6-4-7-11-24/h4-13,20-21,23,38H,14-19,22H2,1-3H3.
What are the key properties of 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 515.65 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 134218785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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