1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride

C19H28Cl2N2O — CID 120557919

IUPAC1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-13-21-12-9-17(14)22-18(23)19(10-3-2-4-11-19)15-5-7-16(20)8-6-15;/h5-8,14,17,21H,2-4,9-13H2,1H3,(H,22,23);1H
InChIKeyJUJZIBFSAHHBDI-UHFFFAOYSA-N
MW371.35 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride

1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 120557919) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID120557919
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1(c2ccc(Cl)cc2)CCCCC1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-13-21-12-9-17(14)22-18(23)19(10-3-2-4-11-19)15-5-7-16(20)8-6-15;/h5-8,14,17,21H,2-4,9-13H2,1H3,(H,22,23);1H
InChIKeyJUJZIBFSAHHBDI-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride (CID 120557919) is 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1(c2ccc(Cl)cc2)CCCCC1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is JUJZIBFSAHHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c1-14-13-21-12-9-17(14)22-18(23)19(10-3-2-4-11-19)15-5-7-16(20)8-6-15;/h5-8,14,17,21H,2-4,9-13H2,1H3,(H,22,23);1H.
What are the key properties of 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride?
1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120557919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).