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

C23H25ClN2O2 — CID 42825796

IUPAC[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C23H25ClN2O2/c24-21-12-6-5-11-18(21)22(27)26-15-19(17-9-3-1-4-10-17)20(16-26)23(28)25-13-7-2-8-14-25/h1,3-6,9-12,19-20H,2,7-8,13-16H2
InChIKeyBZMBLFYLNVVUER-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.21
Rot. Bonds3

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

[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 42825796) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID42825796
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccccc1Cl)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1
InChIInChI=1S/C23H25ClN2O2/c24-21-12-6-5-11-18(21)22(27)26-15-19(17-9-3-1-4-10-17)20(16-26)23(28)25-13-7-2-8-14-25/h1,3-6,9-12,19-20H,2,7-8,13-16H2
InChIKeyBZMBLFYLNVVUER-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 42680169
(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 92991583
2-phenyl-1-[3-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 71955404
3,3-dimethyl-1-[3-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 42825801
[1-(2-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42681993
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565
[(3S,4R)-1-(2,4-dichlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93150211
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
[(3S,4R)-1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93150155
[(3S,4S)-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93154383
[1-(2-chlorobenzoyl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 3436001
[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopentylmethanone
CID 110797839

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 42825796) is [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone is O=C(c1ccccc1Cl)N1CC(C(=O)N2CCCCC2)C(c2ccccc2)C1.
What is the InChIKey of [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BZMBLFYLNVVUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c24-21-12-6-5-11-18(21)22(27)26-15-19(17-9-3-1-4-10-17)20(16-26)23(28)25-13-7-2-8-14-25/h1,3-6,9-12,19-20H,2,7-8,13-16H2.
What are the key properties of [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone?
[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 396.92 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42825796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).