(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one

C20H26N4O — CID 129432836

IUPAC(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1ccc2nc([C@@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22)/t14-,18+/m1/s1
InChIKeyJZVVMKUCLPCLNV-KDOFPFPSSA-N
MW338.45 g/mol
LogP2.81
Rot. Bonds3

About (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one

(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 129432836) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID129432836
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
SMILESCc1ccc2nc([C@@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1
InChIInChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22)/t14-,18+/m1/s1
InChIKeyJZVVMKUCLPCLNV-KDOFPFPSSA-N
XLogP2.81
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one with MolForge

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Related Compounds

1-cyclopropyl-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one
CID 84596082
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
2-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-piperidin-4-ylacetamide
CID 167767525
1-ethoxy-3-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-2-ol
CID 84596080
N-(4-chlorophenyl)-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 3223990
2-methyl-1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 122137072
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963
(3S)-N-benzyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 7099391
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 97071724
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one (CID 129432836) is (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one is Cc1ccc2nc([C@@H]3CCCN([C@H]4CCN(C5CC5)C4=O)C3)[nH]c2c1.
What is the InChIKey of (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is JZVVMKUCLPCLNV-KDOFPFPSSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-4-7-16-17(11-13)22-19(21-16)14-3-2-9-23(12-14)18-8-10-24(20(18)25)15-5-6-15/h4,7,11,14-15,18H,2-3,5-6,8-10,12H2,1H3,(H,21,22)/t14-,18+/m1/s1.
What are the key properties of (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one?
(3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 338.45 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-3-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 129432836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).