N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide

C22H27N3O3 — CID 96529433

IUPACN-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)C1
InChIInChI=1S/C22H27N3O3/c1-3-8-20(26)24-17-11-7-12-25(14-17)22(28)19-13-18(15(2)23-21(19)27)16-9-5-4-6-10-16/h4-6,9-10,13,17H,3,7-8,11-12,14H2,1-2H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyZVLKRPODUJQCEA-KRWDZBQOSA-N
MW381.48 g/mol
LogP2.87
Rot. Bonds5

About N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide

N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide (PubChem CID 96529433) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
PubChem CID96529433
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)C1
InChIInChI=1S/C22H27N3O3/c1-3-8-20(26)24-17-11-7-12-25(14-17)22(28)19-13-18(15(2)23-21(19)27)16-9-5-4-6-10-16/h4-6,9-10,13,17H,3,7-8,11-12,14H2,1-2H3,(H,23,27)(H,24,26)/t17-/m0/s1
InChIKeyZVLKRPODUJQCEA-KRWDZBQOSA-N
XLogP2.87
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide with MolForge

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Related Compounds

N-[1-(3-aminobenzoyl)piperidin-3-yl]butanamide
CID 119761707
3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
5-[3-(butanoylamino)piperidine-1-carbonyl]-2-ethylfuran-3-carboxylic acid
CID 120821552
3-[4-(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-methyl-5-phenyl-1H-pyridin-2-one
CID 167769575
N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109
N-[1-(1-methoxyisoquinoline-3-carbonyl)piperidin-3-yl]butanamide
CID 60621042
N-[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-3-yl]butanamide;hydrochloride
CID 119310793
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
(3R)-3-(butanoylamino)-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 95309440
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
1'-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 155950448

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide (CID 96529433) is N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide is CCCC(=O)N[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)c(C)[nH]c2=O)C1.
What is the InChIKey of N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide?
The InChIKey is ZVLKRPODUJQCEA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-3-8-20(26)24-17-11-7-12-25(14-17)22(28)19-13-18(15(2)23-21(19)27)16-9-5-4-6-10-16/h4-6,9-10,13,17H,3,7-8,11-12,14H2,1-2H3,(H,23,27)(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide?
N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide has a molecular weight of 381.48 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carbonyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 96529433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).