3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide

C24H27N3O3 — CID 12018193

IUPAC3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
SMILESNC(=O)c1cccc([C@H]2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H27N3O3/c25-23(29)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)26-18-10-12-19(13-11-18)27-14-2-1-9-22(27)28/h3,5-6,10-13,15,20-21H,1-2,4,7-9,14H2,(H2,25,29)(H,26,30)/t20-,21-/m1/s1
InChIKeyOZZQBZYABNTOKN-NHCUHLMSSA-N
MW405.50 g/mol
LogP3.82
Rot. Bonds5

About 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide

3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide (PubChem CID 12018193) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide.

Molecular Properties

Compound Name3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
PubChem CID12018193
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide
SMILESNC(=O)c1cccc([C@H]2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1
InChIInChI=1S/C24H27N3O3/c25-23(29)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)26-18-10-12-19(13-11-18)27-14-2-1-9-22(27)28/h3,5-6,10-13,15,20-21H,1-2,4,7-9,14H2,(H2,25,29)(H,26,30)/t20-,21-/m1/s1
InChIKeyOZZQBZYABNTOKN-NHCUHLMSSA-N
XLogP3.82
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclobutane-1,2-dicarboxamide
CID 167890277
2-[1-(3-carbamoylphenyl)-6-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]piperidin-3-yl]oxyacetic acid
CID 10228430
3-[2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopenten-1-yl]benzamide
CID 10272515
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385
3-[2-[[4-(2-oxopiperidin-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 10294777
N-(4-carbamoylphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 35133090
3-[2-[[4-(2-oxoazepan-1-yl)anilino]methyl]piperidin-1-yl]benzamide
CID 142170139
2-amino-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692820
3-[[1-(2-fluorophenyl)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl]amino]benzamide
CID 69337383
N-[3-(2-oxopiperidin-1-yl)phenyl]cyclopentanecarboxamide
CID 7687609
3-chloro-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687271
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide?
The IUPAC name of 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide (CID 12018193) is 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide.
What is the SMILES notation for 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide?
The canonical SMILES for 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide is NC(=O)c1cccc([C@H]2CCC[C@H]2C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1.
What is the InChIKey of 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide?
The InChIKey is OZZQBZYABNTOKN-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H27N3O3/c25-23(29)17-6-3-5-16(15-17)20-7-4-8-21(20)24(30)26-18-10-12-19(13-11-18)27-14-2-1-9-22(27)28/h3,5-6,10-13,15,20-21H,1-2,4,7-9,14H2,(H2,25,29)(H,26,30)/t20-,21-/m1/s1.
What are the key properties of 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide?
3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide has a molecular weight of 405.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2R)-2-[[4-(2-oxopiperidin-1-yl)phenyl]carbamoyl]cyclopentyl]benzamide is sourced from PubChem (CID 12018193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).