1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide

C11H19N5O — CID 90238996

IUPAC1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCC2CCNCC2)nn1
InChIInChI=1S/C11H19N5O/c1-16-8-10(14-15-16)11(17)13-7-4-9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyPGGNRJLYNBREIQ-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.07
Rot. Bonds4

About 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide

1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide (PubChem CID 90238996) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
PubChem CID90238996
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide
SMILESCn1cc(C(=O)NCCC2CCNCC2)nn1
InChIInChI=1S/C11H19N5O/c1-16-8-10(14-15-16)11(17)13-7-4-9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17)
InChIKeyPGGNRJLYNBREIQ-UHFFFAOYSA-N
XLogP-0.07
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclohexylethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119725715
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163
N-(2-acetamidoethyl)-1-methyltriazole-4-carboxamide
CID 110691590
N-(4-bromo-3,3-dimethylbutyl)-1-methyltriazole-4-carboxamide
CID 164663050
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-methyltriazole-4-carboxamide
CID 99873884
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
2-fluoro-N-(2-piperidin-4-ylethyl)benzamide
CID 54943614
N-(6-hydroxyhexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 107842557
2-[4-(2-cyclohexylethylcarbamoyl)triazol-1-yl]acetic acid
CID 66290825
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
methyl 4-[(1-methyltriazole-4-carbonyl)amino]butanoate
CID 110461887
6-bromo-N-(2-piperidin-4-ylethyl)-4-propan-2-ylpyridine-2-carboxamide
CID 166914872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide (CID 90238996) is 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide is Cn1cc(C(=O)NCCC2CCNCC2)nn1.
What is the InChIKey of 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide?
The InChIKey is PGGNRJLYNBREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16-8-10(14-15-16)11(17)13-7-4-9-2-5-12-6-3-9/h8-9,12H,2-7H2,1H3,(H,13,17).
What are the key properties of 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide?
1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-piperidin-4-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 90238996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).