2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide

C26H25ClN4O3 — CID 129227000

IUPAC2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESC[C@]1(NC(=O)Nc2ccc(Cl)cc2)CCCN(c2ccc(-c3ccccc3C(N)=O)cc2)C1=O
InChIInChI=1S/C26H25ClN4O3/c1-26(30-25(34)29-19-11-9-18(27)10-12-19)15-4-16-31(24(26)33)20-13-7-17(8-14-20)21-5-2-3-6-22(21)23(28)32/h2-3,5-14H,4,15-16H2,1H3,(H2,28,32)(H2,29,30,34)/t26-/m0/s1
InChIKeyULCBSVXKJWRFMY-SANMLTNESA-N
MW476.96 g/mol
LogP4.81
Rot. Bonds5

About 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide

2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide (PubChem CID 129227000) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide
PubChem CID129227000
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide
SMILESC[C@]1(NC(=O)Nc2ccc(Cl)cc2)CCCN(c2ccc(-c3ccccc3C(N)=O)cc2)C1=O
InChIInChI=1S/C26H25ClN4O3/c1-26(30-25(34)29-19-11-9-18(27)10-12-19)15-4-16-31(24(26)33)20-13-7-17(8-14-20)21-5-2-3-6-22(21)23(28)32/h2-3,5-14H,4,15-16H2,1H3,(H2,28,32)(H2,29,30,34)/t26-/m0/s1
InChIKeyULCBSVXKJWRFMY-SANMLTNESA-N
XLogP4.81
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-[(3S)-1-[4-[2-(hydroxymethyl)phenyl]phenyl]-3-methyl-2-oxopiperidin-3-yl]urea
CID 129226984
2-[4-[3-[(4-chlorophenyl)carbamoylamino]-2-oxopiperidin-1-yl]-3-fluorophenyl]benzamide
CID 129226922
2-[4-(6-oxo-2,3-dihydropyridin-1-yl)phenyl]benzamide
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1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea
CID 152909543
2-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethoxy]benzamide
CID 27696328
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686374
1-[4-(2-methylphenyl)phenyl]pyrrolidin-2-one;[4-(trifluoromethyl)phenyl]urea
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(5R)-3-(4-chlorophenyl)-7-(2-phenylbenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125025104
1-(4-chlorophenyl)-3-[[2-(2-oxopyrrolidin-1-yl)benzoyl]amino]thiourea
CID 9317516
4-[(4-chlorophenyl)carbamoylamino]-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-1-methylpiperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide?
The IUPAC name of 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide (CID 129227000) is 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide.
What is the SMILES notation for 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide?
The canonical SMILES for 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide is C[C@]1(NC(=O)Nc2ccc(Cl)cc2)CCCN(c2ccc(-c3ccccc3C(N)=O)cc2)C1=O.
What is the InChIKey of 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide?
The InChIKey is ULCBSVXKJWRFMY-SANMLTNESA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-26(30-25(34)29-19-11-9-18(27)10-12-19)15-4-16-31(24(26)33)20-13-7-17(8-14-20)21-5-2-3-6-22(21)23(28)32/h2-3,5-14H,4,15-16H2,1H3,(H2,28,32)(H2,29,30,34)/t26-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide?
2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide has a molecular weight of 476.96 g/mol, XLogP of 4.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-[(4-chlorophenyl)carbamoylamino]-3-methyl-2-oxopiperidin-1-yl]phenyl]benzamide is sourced from PubChem (CID 129227000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).