5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C14H26ClN5O — CID 119678385

IUPAC5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)C(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-9(2)10(3)16-14(20)13-11(4)19(18-17-13)12-5-7-15-8-6-12;/h9-10,12,15H,5-8H2,1-4H3,(H,16,20);1H
InChIKeyPMEVBVNOAGUGTD-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.71
Rot. Bonds4

About 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119678385) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119678385
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC(C)C(C)C)nnn1C1CCNCC1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-9(2)10(3)16-14(20)13-11(4)19(18-17-13)12-5-7-15-8-6-12;/h9-10,12,15H,5-8H2,1-4H3,(H,16,20);1H
InChIKeyPMEVBVNOAGUGTD-UHFFFAOYSA-N
XLogP1.71
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119719868
N-butyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671844
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119719869
N-[1-(4-butan-2-ylphenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692408
N-cyclopentyl-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119674072
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
5-methyl-1-piperidin-4-yl-N-(2-propylhexyl)triazole-4-carboxamide;hydrochloride
CID 119811871
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119689368
5-methyl-N-(3-methylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716278
5-methyl-1-piperidin-4-yl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]triazole-4-carboxamide;hydrochloride
CID 119809122
N-[cyclopentyl-(4-fluorophenyl)methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119735344
N-[1-(4-chlorophenyl)-3-methylbutyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119799876

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119678385) is 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1c(C(=O)NC(C)C(C)C)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is PMEVBVNOAGUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-9(2)10(3)16-14(20)13-11(4)19(18-17-13)12-5-7-15-8-6-12;/h9-10,12,15H,5-8H2,1-4H3,(H,16,20);1H.
What are the key properties of 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-methylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119678385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).