3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride

C18H32ClN5O — CID 120644548

IUPAC3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C18H31N5O.ClH/c1-13(12-14-6-4-3-5-7-14)17(24)21-18-20-16(22-23(18)2)15-8-10-19-11-9-15;/h13-15,19H,3-12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyCKAOGEIXBAQXBL-UHFFFAOYSA-N
MW369.94 g/mol
LogP3.25
Rot. Bonds5

About 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride

3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (PubChem CID 120644548) has the molecular formula C18H32ClN5O and a molecular weight of 369.94 g/mol. Its IUPAC name is 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
PubChem CID120644548
Molecular FormulaC18H32ClN5O
Molecular Weight369.94 g/mol
Exact Mass369.23
IUPAC Name3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl
InChIInChI=1S/C18H31N5O.ClH/c1-13(12-14-6-4-3-5-7-14)17(24)21-18-20-16(22-23(18)2)15-8-10-19-11-9-15;/h13-15,19H,3-12H2,1-2H3,(H,20,21,22,24);1H
InChIKeyCKAOGEIXBAQXBL-UHFFFAOYSA-N
XLogP3.25
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120643599
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexanecarboxamide;hydrochloride
CID 120641896
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
CID 120642628
3-(4-methoxyphenyl)-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642069
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120642449
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643519
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642177
2-(3-methylphenoxy)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644723
2-(3-methoxyphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120643744

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride (CID 120644548) is 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is CC(CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C.Cl.
What is the InChIKey of 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
The InChIKey is CKAOGEIXBAQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.ClH/c1-13(12-14-6-4-3-5-7-14)17(24)21-18-20-16(22-23(18)2)15-8-10-19-11-9-15;/h13-15,19H,3-12H2,1-2H3,(H,20,21,22,24);1H.
What are the key properties of 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride?
3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120644548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).