1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride

C14H26ClN5O — CID 120576398

IUPAC1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC2CCCNC2C)nn1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-10(2)6-8-19-9-13(17-18-19)14(20)16-12-5-4-7-15-11(12)3;/h9-12,15H,4-8H2,1-3H3,(H,16,20);1H
InChIKeyCBNFETTYBIFWIO-UHFFFAOYSA-N
MW315.85 g/mol
LogP1.62
Rot. Bonds5

About 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride

1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride (PubChem CID 120576398) has the molecular formula C14H26ClN5O and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
PubChem CID120576398
Molecular FormulaC14H26ClN5O
Molecular Weight315.85 g/mol
Exact Mass315.18
IUPAC Name1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
SMILESCC(C)CCn1cc(C(=O)NC2CCCNC2C)nn1.Cl
InChIInChI=1S/C14H25N5O.ClH/c1-10(2)6-8-19-9-13(17-18-19)14(20)16-12-5-4-7-15-11(12)3;/h9-12,15H,4-8H2,1-3H3,(H,16,20);1H
InChIKeyCBNFETTYBIFWIO-UHFFFAOYSA-N
XLogP1.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 111460513
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589213
[(3R,5R)-3,5-dimethylpiperazin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 124589215
[1-(3-methylbutyl)triazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119470313
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-(3-methylbutyl)triazole-4-carboxamide
CID 111450769
[2-(methylaminomethyl)pyrrolidin-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone;hydrochloride
CID 119648925
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide;hydrochloride
CID 119605820
1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
CID 120574286
2-methyl-N-[4-methyl-1-[(2-methylpiperidin-3-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 120577941
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575064
[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-[1-(3-methylbutyl)triazol-4-yl]methanone
CID 97080819

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The IUPAC name of 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride (CID 120576398) is 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride is CC(C)CCn1cc(C(=O)NC2CCCNC2C)nn1.Cl.
What is the InChIKey of 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
The InChIKey is CBNFETTYBIFWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O.ClH/c1-10(2)6-8-19-9-13(17-18-19)14(20)16-12-5-4-7-15-11(12)3;/h9-12,15H,4-8H2,1-3H3,(H,16,20);1H.
What are the key properties of 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride?
1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride has a molecular weight of 315.85 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120576398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).