1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

C32H37F2N3O4 — CID 139346980

IUPAC1-[[1-(4,4-difluoro-3-phenylbutanoyl)-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(=O)CC(c3ccccc3)C(F)F)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H37F2N3O4/c1-22(2)35(3)31(40)27-20-37(29(39)18-25(27)23-10-6-4-7-11-23)21-32(41)14-16-36(17-15-32)28(38)19-26(30(33)34)24-12-8-5-9-13-24/h4-13,18,20,22,26,30,41H,14-17,19,21H2,1-3H3
InChIKeyBNFIZGAJUSNHOJ-UHFFFAOYSA-N
MW565.66 g/mol
LogP4.79
Rot. Bonds9

About 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide

1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 139346980) has the molecular formula C32H37F2N3O4 and a molecular weight of 565.66 g/mol. Its IUPAC name is 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID139346980
Molecular FormulaC32H37F2N3O4
Molecular Weight565.66 g/mol
Exact Mass565.28
IUPAC Name1-[[1-(4,4-difluoro-3-phenylbutanoyl)-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(=O)CC(c3ccccc3)C(F)F)CC2)c(=O)cc1-c1ccccc1
InChIInChI=1S/C32H37F2N3O4/c1-22(2)35(3)31(40)27-20-37(29(39)18-25(27)23-10-6-4-7-11-23)21-32(41)14-16-36(17-15-32)28(38)19-26(30(33)34)24-12-8-5-9-13-24/h4-13,18,20,22,26,30,41H,14-17,19,21H2,1-3H3
InChIKeyBNFIZGAJUSNHOJ-UHFFFAOYSA-N
XLogP4.79
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.66
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide
CID 134218785
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
1-[[7-(4,4-difluoro-3-phenylbutanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346871
4-(2-cyanophenyl)-1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 139347331
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-4-(2-methoxyphenyl)-N-methyl-6-oxo-N-propan-2-ylpyridine-3-carboxamide
CID 139346944
4-[1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylic acid
CID 134210027
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 134218882
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
N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218775
1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
CID 139347178
6-chloro-3-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]pyrimidin-4-one
CID 139415051
1-[[10-hydroxy-7-(4,4,4-trifluoro-3-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346883

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide (CID 139346980) is 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-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-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-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(=O)CC(c3ccccc3)C(F)F)CC2)c(=O)cc1-c1ccccc1.
What is the InChIKey of 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BNFIZGAJUSNHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37F2N3O4/c1-22(2)35(3)31(40)27-20-37(29(39)18-25(27)23-10-6-4-7-11-23)21-32(41)14-16-36(17-15-32)28(38)19-26(30(33)34)24-12-8-5-9-13-24/h4-13,18,20,22,26,30,41H,14-17,19,21H2,1-3H3.
What are the key properties of 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide?
1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 565.66 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]-N-methyl-6-oxo-4-phenyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 139346980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).