(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone

C22H24N2O2 — CID 42680169

IUPAC(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1)N1CC(C(=O)N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-21(18-11-5-2-6-12-18)24-15-19(17-9-3-1-4-10-17)20(16-24)22(26)23-13-7-8-14-23/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyKPNSSAMZKXOFIZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.16
Rot. Bonds3

About (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone

(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 42680169) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID42680169
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccccc1)N1CC(C(=O)N2CCCC2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N2O2/c25-21(18-11-5-2-6-12-18)24-15-19(17-9-3-1-4-10-17)20(16-24)22(26)23-13-7-8-14-23/h1-6,9-12,19-20H,7-8,13-16H2
InChIKeyKPNSSAMZKXOFIZ-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42825796
[(3S,4R)-1-(4-fluorobenzoyl)-4-(4-fluorophenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93151591
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565
2-phenyl-1-[3-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 71955404
[(3R,4R)-1-(3-methoxybenzoyl)-4-(4-methoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93148856
3,3-dimethyl-1-[3-phenyl-4-(piperidine-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 42825801
[1-(4-methylbenzoyl)-4-phenylpyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42825811
[(3R,4R)-4-(4-methoxyphenyl)-1-(4-methylbenzoyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93148899
[1-benzoyl-4-(2,5-dimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42681551
[(3S,4S)-1-(4-chlorobenzoyl)-4-(3-methoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93154383
1-benzoyl-N-(cyclopropylmethyl)-4-phenylpyrrolidine-3-carboxamide
CID 42680162
(3S,4R)-1-(3-chlorobenzoyl)-4-phenylpyrrolidine-3-carboxylic acid
CID 166330987

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone (CID 42680169) is (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone is O=C(c1ccccc1)N1CC(C(=O)N2CCCC2)C(c2ccccc2)C1.
What is the InChIKey of (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is KPNSSAMZKXOFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c25-21(18-11-5-2-6-12-18)24-15-19(17-9-3-1-4-10-17)20(16-24)22(26)23-13-7-8-14-23/h1-6,9-12,19-20H,7-8,13-16H2.
What are the key properties of (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone?
(1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 348.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-4-phenylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42680169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).