N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H35ClN6O2 — CID 119743932

IUPACN-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)c2nnn(C3CCNCC3)c2C)CCCCC1.Cl
InChIInChI=1S/C20H34N6O2.ClH/c1-4-25(5-2)19(28)20(11-7-6-8-12-20)22-18(27)17-15(3)26(24-23-17)16-9-13-21-14-10-16;/h16,21H,4-14H2,1-3H3,(H,22,27);1H
InChIKeyOENJSRPUMGJDOK-UHFFFAOYSA-N
MW426.99 g/mol
LogP2.23
Rot. Bonds6

About N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119743932) has the molecular formula C20H35ClN6O2 and a molecular weight of 426.99 g/mol. Its IUPAC name is N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119743932
Molecular FormulaC20H35ClN6O2
Molecular Weight426.99 g/mol
Exact Mass426.25
IUPAC NameN-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)C1(NC(=O)c2nnn(C3CCNCC3)c2C)CCCCC1.Cl
InChIInChI=1S/C20H34N6O2.ClH/c1-4-25(5-2)19(28)20(11-7-6-8-12-20)22-18(27)17-15(3)26(24-23-17)16-9-13-21-14-10-16;/h16,21H,4-14H2,1-3H3,(H,22,27);1H
InChIKeyOENJSRPUMGJDOK-UHFFFAOYSA-N
XLogP2.23
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

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Related Compounds

methyl 1-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]cycloheptane-1-carboxylate;hydrochloride
CID 119704565
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119786134
N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119765781
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119812287
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119743932) is N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(CC)C(=O)C1(NC(=O)c2nnn(C3CCNCC3)c2C)CCCCC1.Cl.
What is the InChIKey of N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is OENJSRPUMGJDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2.ClH/c1-4-25(5-2)19(28)20(11-7-6-8-12-20)22-18(27)17-15(3)26(24-23-17)16-9-13-21-14-10-16;/h16,21H,4-14H2,1-3H3,(H,22,27);1H.
What are the key properties of N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119743932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).