1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide

C23H28N4O5 — CID 173142948

IUPAC1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide
SMILESCC(C)(CO)C(=O)N1CCCC(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1C(N)=O
InChIInChI=1S/C23H28N4O5/c1-23(2,14-28)22(32)27-13-5-6-17(19(27)20(24)30)25-21(31)15-8-10-16(11-9-15)26-12-4-3-7-18(26)29/h3-4,7-12,17,19,28H,5-6,13-14H2,1-2H3,(H2,24,30)(H,25,31)
InChIKeyQOOCGVYVXCYYKW-UHFFFAOYSA-N
MW440.50 g/mol
LogP0.43
Rot. Bonds6

About 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide

1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide (PubChem CID 173142948) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide
PubChem CID173142948
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide
SMILESCC(C)(CO)C(=O)N1CCCC(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1C(N)=O
InChIInChI=1S/C23H28N4O5/c1-23(2,14-28)22(32)27-13-5-6-17(19(27)20(24)30)25-21(31)15-8-10-16(11-9-15)26-12-4-3-7-18(26)29/h3-4,7-12,17,19,28H,5-6,13-14H2,1-2H3,(H2,24,30)(H,25,31)
InChIKeyQOOCGVYVXCYYKW-UHFFFAOYSA-N
XLogP0.43
TPSA134.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide with MolForge

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Related Compounds

tert-butyl N-[(1S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]carbamate
CID 142943619
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
N-[(2R)-2-[(4-methoxybenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 163680968
N-(4-amino-1-methyl-5-oxopyrrolidin-3-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69442634
4-chloro-3-fluoro-N-[(2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 71189210
tert-butyl (3R,4S)-4-amino-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-1-carboxylate
CID 69437324
3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
4-chloro-2-methyl-N-[(1R)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]benzamide
CID 142943661
N-[2-[(4-chlorophenyl)sulfinylmethyl]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 18453260
N-[(3S,4R)-4-amino-1-(cyclopropanecarbonyl)piperidin-3-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 58845419
8-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]-1-oxaspiro[4.5]decane-2-carboxamide
CID 18453238
N-(2-amino-2,3-dihydro-1H-inden-1-yl)-4-(2-oxo-1-pyridinyl)benzamide
CID 69173385

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide?
The IUPAC name of 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide (CID 173142948) is 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide.
What is the SMILES notation for 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide?
The canonical SMILES for 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide is CC(C)(CO)C(=O)N1CCCC(NC(=O)c2ccc(-n3ccccc3=O)cc2)C1C(N)=O.
What is the InChIKey of 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide?
The InChIKey is QOOCGVYVXCYYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-23(2,14-28)22(32)27-13-5-6-17(19(27)20(24)30)25-21(31)15-8-10-16(11-9-15)26-12-4-3-7-18(26)29/h3-4,7-12,17,19,28H,5-6,13-14H2,1-2H3,(H2,24,30)(H,25,31).
What are the key properties of 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide?
1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2,2-dimethylpropanoyl)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]piperidine-2-carboxamide is sourced from PubChem (CID 173142948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).