(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

C19H28N2O — CID 119487583

IUPAC(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C19H28N2O/c1-20-18-8-5-13-21(14-18)19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h9-12,15,18,20H,2-8,13-14H2,1H3
InChIKeyUITOOJFHEBRBCR-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.56
Rot. Bonds3

About (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone

(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119487583) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119487583
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1
InChIInChI=1S/C19H28N2O/c1-20-18-8-5-13-21(14-18)19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h9-12,15,18,20H,2-8,13-14H2,1H3
InChIKeyUITOOJFHEBRBCR-UHFFFAOYSA-N
XLogP3.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-cyclohexylphenyl)-[3-(methylamino)piperidin-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-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
(4-cyclohexylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 86877330
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
1-[4-(4-cyclohexylbenzoyl)piperazin-1-yl]ethanone
CID 110761379
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
[3-(methylamino)piperidin-1-yl]-[4-(trifluoromethylsulfanyl)phenyl]methanone
CID 119491013
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119487583) is (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2ccc(C3CCCCC3)cc2)C1.
What is the InChIKey of (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is UITOOJFHEBRBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20-18-8-5-13-21(14-18)19(22)17-11-9-16(10-12-17)15-6-3-2-4-7-15/h9-12,15,18,20H,2-8,13-14H2,1H3.
What are the key properties of (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119487583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).