N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H29N5O — CID 119765781

IUPACN-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C)CCC(C)CC2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-12-4-8-17(3,9-5-12)19-16(23)15-13(2)22(21-20-15)14-6-10-18-11-7-14/h12,14,18H,4-11H2,1-3H3,(H,19,23)
InChIKeyAGQSIALNHHWMCD-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.21
Rot. Bonds3

About N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119765781) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119765781
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC NameN-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2(C)CCC(C)CC2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O/c1-12-4-8-17(3,9-5-12)19-16(23)15-13(2)22(21-20-15)14-6-10-18-11-7-14/h12,14,18H,4-11H2,1-3H3,(H,19,23)
InChIKeyAGQSIALNHHWMCD-UHFFFAOYSA-N
XLogP2.21
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]cycloheptane-1-carboxylate;hydrochloride
CID 119704565
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119678385
5-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119812287
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119817932
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-[1-(diethylcarbamoyl)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119743932
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
(4,4-dimethylazepan-1-yl)-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119803692
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790971

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119765781) is N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC2(C)CCC(C)CC2)nnn1C1CCNCC1.
What is the InChIKey of N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is AGQSIALNHHWMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-12-4-8-17(3,9-5-12)19-16(23)15-13(2)22(21-20-15)14-6-10-18-11-7-14/h12,14,18H,4-11H2,1-3H3,(H,19,23).
What are the key properties of N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119765781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).