[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone

C23H25ClN2O2 — CID 32820227

IUPAC[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1
InChIInChI=1S/C23H25ClN2O2/c24-20-12-10-18(11-13-20)22(27)25-14-4-8-19(16-25)23(28)26-15-5-9-21(26)17-6-2-1-3-7-17/h1-3,6-7,10-13,19,21H,4-5,8-9,14-16H2/t19-,21-/m0/s1
InChIKeyPBTMVXLRLACJHC-FPOVZHCZSA-N
MW396.92 g/mol
LogP4.56
Rot. Bonds3

About [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone

[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone (PubChem CID 32820227) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
PubChem CID32820227
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1
InChIInChI=1S/C23H25ClN2O2/c24-20-12-10-18(11-13-20)22(27)25-14-4-8-19(16-25)23(28)26-15-5-9-21(26)17-6-2-1-3-7-17/h1-3,6-7,10-13,19,21H,4-5,8-9,14-16H2/t19-,21-/m0/s1
InChIKeyPBTMVXLRLACJHC-FPOVZHCZSA-N
XLogP4.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(4-chlorophenyl)pyrrolidin-1-yl]-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 30839694
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 119410324
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120658105
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 8004058

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone (CID 32820227) is [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccccc2)C1.
What is the InChIKey of [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
The InChIKey is PBTMVXLRLACJHC-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-20-12-10-18(11-13-20)22(27)25-14-4-8-19(16-25)23(28)26-15-5-9-21(26)17-6-2-1-3-7-17/h1-3,6-7,10-13,19,21H,4-5,8-9,14-16H2/t19-,21-/m0/s1.
What are the key properties of [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone?
[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone has a molecular weight of 396.92 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 32820227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).