N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide

C11H19N5O — CID 113364724

IUPACN-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(3-5-16(2)6-4-11)8-12-10(17)9-7-13-15-14-9/h7H,3-6,8H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyXVBVTUIPXZEHFM-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.27
Rot. Bonds3

About N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide

N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide (PubChem CID 113364724) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
PubChem CID113364724
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide
SMILESCN1CCC(C)(CNC(=O)c2cn[nH]n2)CC1
InChIInChI=1S/C11H19N5O/c1-11(3-5-16(2)6-4-11)8-12-10(17)9-7-13-15-14-9/h7H,3-6,8H2,1-2H3,(H,12,17)(H,13,14,15)
InChIKeyXVBVTUIPXZEHFM-UHFFFAOYSA-N
XLogP0.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
[4-(3-methylbutyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 53509796
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-[(1-ethylpyrrolidin-2-yl)methyl]-2H-triazole-4-carboxamide
CID 53527241
2-[4-(2,7-diazaspiro[4.5]dec-7-ylcarbonyl)-1H-1,2,3-triazol-1-yl]ethanamine
CID 56750109
N-(4-methylcyclohexyl)-1H-1,2,3-triazole-5-carboxamide
CID 76146781
4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(1H-1,2,3-triazol-5-ylcarbonyl)piperidine
CID 118767431
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]-2H-triazole-4-carboxamide
CID 128028584
2H-triazol-4-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 129375621
1-ethyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 164640152
[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
CID 164641192
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-1-(2-amino-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
CID 132227911

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide (CID 113364724) is N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide is CN1CCC(C)(CNC(=O)c2cn[nH]n2)CC1.
What is the InChIKey of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide?
The InChIKey is XVBVTUIPXZEHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-11(3-5-16(2)6-4-11)8-12-10(17)9-7-13-15-14-9/h7H,3-6,8H2,1-2H3,(H,12,17)(H,13,14,15).
What are the key properties of N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide?
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperidin-4-yl)methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 113364724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).