N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H30N6O — CID 119889049

IUPACN-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC(N(C)C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O/c1-12-16(20-21-23(12)14-7-9-18-10-8-14)17(24)19-13-5-4-6-15(11-13)22(2)3/h13-15,18H,4-11H2,1-3H3,(H,19,24)
InChIKeyDTOBPEBFYLYGRS-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.11
Rot. Bonds4

About N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119889049) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119889049
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCC(N(C)C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O/c1-12-16(20-21-23(12)14-7-9-18-10-8-14)17(24)19-13-5-4-6-15(11-13)22(2)3/h13-15,18H,4-11H2,1-3H3,(H,19,24)
InChIKeyDTOBPEBFYLYGRS-UHFFFAOYSA-N
XLogP1.11
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(3-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119793290
N-(3-ethylsulfanylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119818944
N-(4-ethylcyclohexyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716143
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N,5-dimethyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119717301
N-[[1-(dimethylcarbamoyl)cyclopentyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119786134
N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 124683410
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-cyclopentyl-N-ethyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119722097

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119889049) is N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NC2CCCC(N(C)C)C2)nnn1C1CCNCC1.
What is the InChIKey of N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is DTOBPEBFYLYGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-12-16(20-21-23(12)14-7-9-18-10-8-14)17(24)19-13-5-4-6-15(11-13)22(2)3/h13-15,18H,4-11H2,1-3H3,(H,19,24).
What are the key properties of N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).