N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide

C34H41N3O4 — CID 134218775

IUPACN-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C34H41N3O4/c1-25(26-11-5-2-6-12-26)21-31(38)36-19-17-34(41,18-20-36)24-37-23-30(33(40)35-28-15-9-4-10-16-28)29(22-32(37)39)27-13-7-3-8-14-27/h2-3,5-8,11-14,22-23,25,28,41H,4,9-10,15-21,24H2,1H3,(H,35,40)/t25-/m1/s1
InChIKeyMDPRXNGQKGGOGF-RUZDIDTESA-N
MW555.72 g/mol
LogP5.13
Rot. Bonds8

About N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide

N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide (PubChem CID 134218775) has the molecular formula C34H41N3O4 and a molecular weight of 555.72 g/mol. Its IUPAC name is N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
PubChem CID134218775
Molecular FormulaC34H41N3O4
Molecular Weight555.72 g/mol
Exact Mass555.31
IUPAC NameN-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C34H41N3O4/c1-25(26-11-5-2-6-12-26)21-31(38)36-19-17-34(41,18-20-36)24-37-23-30(33(40)35-28-15-9-4-10-16-28)29(22-32(37)39)27-13-7-3-8-14-27/h2-3,5-8,11-14,22-23,25,28,41H,4,9-10,15-21,24H2,1H3,(H,35,40)/t25-/m1/s1
InChIKeyMDPRXNGQKGGOGF-RUZDIDTESA-N
XLogP5.13
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.72
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylic acid
CID 134211837
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-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-5-phenyl-4-prop-1-en-2-ylpyridin-2-one
CID 139347178
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-methylpyrimidin-4-one
CID 166555545
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
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
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-[2-(propan-2-ylamino)ethylamino]pyrimidin-4-one
CID 139414723
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-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-(2-methoxyethylamino)pyrimidin-4-one
CID 139414734
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide (CID 134218775) is N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide is C[C@H](CC(=O)N1CCC(O)(Cn2cc(C(=O)NC3CCCCC3)c(-c3ccccc3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide?
The InChIKey is MDPRXNGQKGGOGF-RUZDIDTESA-N. The full InChI is InChI=1S/C34H41N3O4/c1-25(26-11-5-2-6-12-26)21-31(38)36-19-17-34(41,18-20-36)24-37-23-30(33(40)35-28-15-9-4-10-16-28)29(22-32(37)39)27-13-7-3-8-14-27/h2-3,5-8,11-14,22-23,25,28,41H,4,9-10,15-21,24H2,1H3,(H,35,40)/t25-/m1/s1.
What are the key properties of N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide?
N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide has a molecular weight of 555.72 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 134218775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).