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

C11H19N5O — CID 43706301

IUPACN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyPKHINOSLZOUOHY-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.01
Rot. Bonds3

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

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 43706301) 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-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID43706301
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCCNC1)c1nncn1C
InChIInChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-4-3-5-12-6-9/h7-9,12H,3-6H2,1-2H3,(H,14,17)
InChIKeyPKHINOSLZOUOHY-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
CID 43706300
N-[1-(1-methylbenzimidazol-2-yl)ethyl]piperidine-3-carboxamide
CID 119889969
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299043
N-[(1R)-1-pyrimidin-2-ylethyl]piperidine-3-carboxamide
CID 175719155
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
N-[1-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119269407
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(3R)-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 81139962
N-[2-(4-methyl-1,2,4-triazol-3-yl)phenyl]piperidine-3-carboxamide
CID 43706685
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119276218
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (CID 43706301) is N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCNC1)c1nncn1C.
What is the InChIKey of N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PKHINOSLZOUOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8(10-15-13-7-16(10)2)14-11(17)9-4-3-5-12-6-9/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-3-carboxamide?
N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 237.31 g/mol, XLogP of -0.01, 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-3-carboxamide is sourced from PubChem (CID 43706301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).