5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C17H30N6O — CID 124696094

IUPAC5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCCC[C@H]2C)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O/c1-13-5-3-4-11-22(13)12-10-19-17(24)16-14(2)23(21-20-16)15-6-8-18-9-7-15/h13,15,18H,3-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyFMVQMXSVKCBWBB-CYBMUJFWSA-N
MW334.47 g/mol
LogP1.12
Rot. Bonds5

About 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide

5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 124696094) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID124696094
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCCC[C@H]2C)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O/c1-13-5-3-4-11-22(13)12-10-19-17(24)16-14(2)23(21-20-16)15-6-8-18-9-7-15/h13,15,18H,3-12H2,1-2H3,(H,19,24)/t13-/m1/s1
InChIKeyFMVQMXSVKCBWBB-CYBMUJFWSA-N
XLogP1.12
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119868873
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119731690
5-methyl-N-(2-phenylsulfanylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119691404
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
N-[2-(3,5-dimethylphenoxy)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119746736
N-cyclopropyl-5-methyl-N-(4-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119733287
5-methyl-N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119863571
5-methyl-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119813044
N-[3-(dimethylamino)cyclohexyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119889049

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 124696094) is 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCN2CCCC[C@H]2C)nnn1C1CCNCC1.
What is the InChIKey of 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is FMVQMXSVKCBWBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H30N6O/c1-13-5-3-4-11-22(13)12-10-19-17(24)16-14(2)23(21-20-16)15-6-8-18-9-7-15/h13,15,18H,3-12H2,1-2H3,(H,19,24)/t13-/m1/s1.
What are the key properties of 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 334.47 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 124696094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).