(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

C20H24N4O2 — CID 51590631

IUPAC(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H24N4O2/c25-18-10-14(12-24(18)15-7-8-15)20(26)23-9-3-4-13(11-23)19-21-16-5-1-2-6-17(16)22-19/h1-2,5-6,13-15H,3-4,7-12H2,(H,21,22)/t13-,14+/m0/s1
InChIKeyGKFWUQQKCZBVIT-UONOGXRCSA-N
MW352.44 g/mol
LogP2.28
Rot. Bonds3

About (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one

(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (PubChem CID 51590631) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
PubChem CID51590631
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H24N4O2/c25-18-10-14(12-24(18)15-7-8-15)20(26)23-9-3-4-13(11-23)19-21-16-5-1-2-6-17(16)22-19/h1-2,5-6,13-15H,3-4,7-12H2,(H,21,22)/t13-,14+/m0/s1
InChIKeyGKFWUQQKCZBVIT-UONOGXRCSA-N
XLogP2.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one with MolForge

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Related Compounds

4-[3-(3-aminoquinolin-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110222610
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(4-fluorobenzoyl)piperidin-4-yl]methanone
CID 55498022
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
3-(1H-benzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 55696056
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 46692235
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-1,4-dioxan-2-yl]methanone
CID 94166723
(2S)-2-amino-1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 66785121

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one (CID 51590631) is (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1.
What is the InChIKey of (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
The InChIKey is GKFWUQQKCZBVIT-UONOGXRCSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18-10-14(12-24(18)15-7-8-15)20(26)23-9-3-4-13(11-23)19-21-16-5-1-2-6-17(16)22-19/h1-2,5-6,13-15H,3-4,7-12H2,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one?
(4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one is sourced from PubChem (CID 51590631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).