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

C18H32ClN5O — CID 120643519

IUPAC2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CC1CCCCC1(C)C
InChIInChI=1S/C18H31N5O.ClH/c1-18(2)9-5-4-6-14(18)12-15(24)20-17-21-16(22-23(17)3)13-7-10-19-11-8-13;/h13-14,19H,4-12H2,1-3H3,(H,20,21,22,24);1H
InChIKeyWIKMLVNNKPCDCV-UHFFFAOYSA-N
MW369.94 g/mol
LogP3.25
Rot. Bonds4

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

2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (PubChem CID 120643519) has the molecular formula C18H32ClN5O and a molecular weight of 369.94 g/mol. Its IUPAC name is 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
PubChem CID120643519
Molecular FormulaC18H32ClN5O
Molecular Weight369.94 g/mol
Exact Mass369.23
IUPAC Name2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
SMILESCl.Cn1nc(C2CCNCC2)nc1NC(=O)CC1CCCCC1(C)C
InChIInChI=1S/C18H31N5O.ClH/c1-18(2)9-5-4-6-14(18)12-15(24)20-17-21-16(22-23(17)3)13-7-10-19-11-8-13;/h13-14,19H,4-12H2,1-3H3,(H,20,21,22,24);1H
InChIKeyWIKMLVNNKPCDCV-UHFFFAOYSA-N
XLogP3.25
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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

Analyze 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride with MolForge

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Related Compounds

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
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
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644548
2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120643599
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120642686
3-(3,5-dimethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644988
2-(3-ethylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643521
2-(4-bromo-2-methylphenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120644142
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-phenylpropanamide
CID 120642790

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The IUPAC name of 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride (CID 120643519) is 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is Cl.Cn1nc(C2CCNCC2)nc1NC(=O)CC1CCCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
The InChIKey is WIKMLVNNKPCDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O.ClH/c1-18(2)9-5-4-6-14(18)12-15(24)20-17-21-16(22-23(17)3)13-7-10-19-11-8-13;/h13-14,19H,4-12H2,1-3H3,(H,20,21,22,24);1H.
What are the key properties of 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride?
2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 120643519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).