N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide

C24H27ClN4O3 — CID 56505966

IUPACN-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C24H27ClN4O3/c25-19-11-12-20(26-15-19)27-23(31)18-9-6-13-28(16-18)24(32)22(17-7-2-1-3-8-17)29-14-5-4-10-21(29)30/h1-3,7-8,11-12,15,18,22H,4-6,9-10,13-14,16H2,(H,26,27,31)
InChIKeyKRPVWLSYINHECW-UHFFFAOYSA-N
MW454.96 g/mol
LogP3.67
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide

N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide (PubChem CID 56505966) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
PubChem CID56505966
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C(c2ccccc2)N2CCCCC2=O)C1
InChIInChI=1S/C24H27ClN4O3/c25-19-11-12-20(26-15-19)27-23(31)18-9-6-13-28(16-18)24(32)22(17-7-2-1-3-8-17)29-14-5-4-10-21(29)30/h1-3,7-8,11-12,15,18,22H,4-6,9-10,13-14,16H2,(H,26,27,31)
InChIKeyKRPVWLSYINHECW-UHFFFAOYSA-N
XLogP3.67
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-[(2S)-2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxylic acid
CID 99638802
1-[2-amino-2-(oxan-4-yl)acetyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 120798562
1-[1-(benzenesulfonyl)piperidine-4-carbonyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55812737
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
1-(1-aminocyclopropanecarbonyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856459
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-(2-iodo-3-methylbenzoyl)piperidine-3-carboxamide
CID 55924407
N-(5-chloro-2-pyridinyl)-1-propan-2-ylpiperidine-3-carboxamide
CID 166193179
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
(3R)-N-(5-chloro-2-pyridinyl)-1-[(1R,2S)-2-(2,3-dihydroindole-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxamide
CID 98681913
N-(5-chloro-2-pyridinyl)-1-[2-(4-pyrrol-1-ylphenyl)acetyl]piperidine-3-carboxamide
CID 55815418

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide (CID 56505966) is N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCCN(C(=O)C(c2ccccc2)N2CCCCC2=O)C1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide?
The InChIKey is KRPVWLSYINHECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c25-19-11-12-20(26-15-19)27-23(31)18-9-6-13-28(16-18)24(32)22(17-7-2-1-3-8-17)29-14-5-4-10-21(29)30/h1-3,7-8,11-12,15,18,22H,4-6,9-10,13-14,16H2,(H,26,27,31).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide has a molecular weight of 454.96 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 56505966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).