N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide

C11H19N5O — CID 43706300

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-5-3-4-6-12-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyOCSNEVJMYIWUOJ-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.13
Rot. Bonds3

About N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 43706300) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID43706300
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC(NC(=O)C1CCCCN1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-5-3-4-6-12-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyOCSNEVJMYIWUOJ-UHFFFAOYSA-N
XLogP0.13
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
(2S)-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 103813441
1-(cyclopentanecarbonyl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-4-carboxamide
CID 72878892
1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-oxoazepan-3-yl)urea
CID 71893352
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 79538630
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
2-cyclopropyl-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]guanidine
CID 62364865
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867814
N-[(1R)-1-pyridin-4-ylethyl]piperidine-2-carboxamide
CID 81410506
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602
(2S)-N-[1-(4-fluorophenyl)ethyl]piperidine-2-carboxamide
CID 75495928

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide (CID 43706300) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide is CC(NC(=O)C1CCCCN1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is OCSNEVJMYIWUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-5-3-4-6-12-9/h7-9,12H,3-6H2,1-2H3,(H,14,17).
What are the key properties of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 43706300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).