(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone

C18H25NO — CID 86877330

IUPAC(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C18H25NO/c1-14-11-12-19(13-14)18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3
InChIKeyVTGUUNUPPJWWLS-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.22
Rot. Bonds2

About (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone

(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 86877330) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
PubChem CID86877330
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C18H25NO/c1-14-11-12-19(13-14)18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3
InChIKeyVTGUUNUPPJWWLS-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
(4-cyclohexylphenyl)-(2-methylaziridin-1-yl)methanone
CID 22282326
(4-aminopiperidin-1-yl)-(4-cyclohexylphenyl)methanone;hydrochloride
CID 119372876
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[4-(dimethylamino)phenyl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 143704311
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
N-tert-butyl-4-(4-cyclohexylbenzoyl)piperazine-1-carboxamide
CID 110812367
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
2-[[(2S)-4-(4-cyclohexylbenzoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 129476565

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone (CID 86877330) is (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is VTGUUNUPPJWWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-11-12-19(13-14)18(20)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15H,2-6,11-13H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone?
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 271.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 86877330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).