1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one

C18H30N2O2 — CID 17257425

IUPAC1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)C2CC(=O)N(C3CCCCC3)C2)C1
InChIInChI=1S/C18H30N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3
InChIKeyWLYPXHBAPLACPB-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds2

About 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one

1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 17257425) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID17257425
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CC(C)CN(C(=O)C2CC(=O)N(C3CCCCC3)C2)C1
InChIInChI=1S/C18H30N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3
InChIKeyWLYPXHBAPLACPB-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
1-cyclopentyl-4-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 55179169
1-cyclopentyl-4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 79403206
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 66085474
1-cyclopentyl-4-(4-piperidin-1-ylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 131952328
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
ethyl (3S)-1-[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 9364684
ethyl (3S)-1-[(3R)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 93018624

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one (CID 17257425) is 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one is CC1CC(C)CN(C(=O)C2CC(=O)N(C3CCCCC3)C2)C1.
What is the InChIKey of 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is WLYPXHBAPLACPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-13-8-14(2)11-19(10-13)18(22)15-9-17(21)20(12-15)16-6-4-3-5-7-16/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one?
1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 306.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,5-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 17257425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).