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

C12H21N5O — CID 115688762

IUPAC3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCc2ncn(C)n2)C1
InChIInChI=1S/C12H21N5O/c1-10-4-3-7-17(8-10)12(18)13-6-5-11-14-9-16(2)15-11/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyXNGQWEBZIVBRNJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.80
Rot. Bonds3

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

3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (PubChem CID 115688762) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
PubChem CID115688762
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCCc2ncn(C)n2)C1
InChIInChI=1S/C12H21N5O/c1-10-4-3-7-17(8-10)12(18)13-6-5-11-14-9-16(2)15-11/h9-10H,3-8H2,1-2H3,(H,13,18)
InChIKeyXNGQWEBZIVBRNJ-UHFFFAOYSA-N
XLogP0.80
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 115688654
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 80688595
2-[1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidin-3-yl]acetic acid
CID 80689165
3-methyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 113258779
N-[2-(4-fluorophenyl)ethyl]-3-methylpiperidine-1-carboxamide
CID 108902116
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
(2S)-4-hydroxy-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 80689637
N-(4-imidazol-1-ylbutyl)-3-methylpiperidine-1-carboxamide
CID 60547179
3-methyl-N-[3-(1,2,4-triazol-1-yl)propyl]piperidine-1-carboxamide
CID 53498427
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 80682620
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide (CID 115688762) is 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is CC1CCCN(C(=O)NCCc2ncn(C)n2)C1.
What is the InChIKey of 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is XNGQWEBZIVBRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-10-4-3-7-17(8-10)12(18)13-6-5-11-14-9-16(2)15-11/h9-10H,3-8H2,1-2H3,(H,13,18).
What are the key properties of 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide?
3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 115688762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).