4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride

C20H31ClN2O — CID 119557227

IUPAC4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30N2O.ClH/c23-20(22-14-12-16-5-4-13-21-15-16)19-10-8-18(9-11-19)17-6-2-1-3-7-17;/h1-3,6-7,16,18-19,21H,4-5,8-15H2,(H,22,23);1H
InChIKeyMLJNAXVITRVHDL-UHFFFAOYSA-N
MW350.93 g/mol
LogP3.89
Rot. Bonds5

About 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride

4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119557227) has the molecular formula C20H31ClN2O and a molecular weight of 350.93 g/mol. Its IUPAC name is 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119557227
Molecular FormulaC20H31ClN2O
Molecular Weight350.93 g/mol
Exact Mass350.21
IUPAC Name4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H30N2O.ClH/c23-20(22-14-12-16-5-4-13-21-15-16)19-10-8-18(9-11-19)17-6-2-1-3-7-17;/h1-3,6-7,16,18-19,21H,4-5,8-15H2,(H,22,23);1H
InChIKeyMLJNAXVITRVHDL-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.93
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride 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-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
1-(benzenesulfonyl)-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119557408
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
1-benzyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119558347
5-oxo-1-(1-phenylethyl)-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119554911
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396103
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
4-[(cyclopentanecarbonylamino)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557704
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride (CID 119557227) is 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is MLJNAXVITRVHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.ClH/c23-20(22-14-12-16-5-4-13-21-15-16)19-10-8-18(9-11-19)17-6-2-1-3-7-17;/h1-3,6-7,16,18-19,21H,4-5,8-15H2,(H,22,23);1H.
What are the key properties of 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride?
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 350.93 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119557227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).