[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone

C23H24N2O3 — CID 176902068

IUPAC[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CCCN1C(=O)N1CCC[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c26-21(17-9-3-1-4-10-17)19-13-7-15-24(19)23(28)25-16-8-14-20(25)22(27)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20-/m0/s1
InChIKeyCULKJXFCEDIGBW-PMACEKPBSA-N
MW376.46 g/mol
LogP3.80
Rot. Bonds4

About [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone

[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone (PubChem CID 176902068) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
PubChem CID176902068
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1CCCN1C(=O)N1CCC[C@H]1C(=O)c1ccccc1
InChIInChI=1S/C23H24N2O3/c26-21(17-9-3-1-4-10-17)19-13-7-15-24(19)23(28)25-16-8-14-20(25)22(27)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20-/m0/s1
InChIKeyCULKJXFCEDIGBW-PMACEKPBSA-N
XLogP3.80
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
phenyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357683
[1-(4-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357637
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643
[1-(2-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357641
[1-(3-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357642
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
benzyl 2-benzoylpyrrolidine-1-carboxylate
CID 110357682
1-(2-benzoylpyrrolidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 110607613
phenyl-[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)pyrrolidin-2-yl]methanone
CID 110607617
1-(2-benzoylpyrrolidin-1-yl)-4-(2-chlorophenyl)butane-1,4-dione
CID 110607653
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The IUPAC name of [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone (CID 176902068) is [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The canonical SMILES for [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1CCCN1C(=O)N1CCC[C@H]1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
The InChIKey is CULKJXFCEDIGBW-PMACEKPBSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-21(17-9-3-1-4-10-17)19-13-7-15-24(19)23(28)25-16-8-14-20(25)22(27)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20-/m0/s1.
What are the key properties of [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone?
[(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone has a molecular weight of 376.46 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2S)-2-benzoylpyrrolidine-1-carbonyl]pyrrolidin-2-yl]-phenylmethanone is sourced from PubChem (CID 176902068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).