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

C12H21N5O — CID 114424016

IUPAC4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCc2nncn2C)C1
InChIInChI=1S/C12H21N5O/c1-9-3-5-13-10(7-9)12(18)14-6-4-11-16-15-8-17(11)2/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyZNLOLYRCZOCPPK-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.14
Rot. Bonds4

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

4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide (PubChem CID 114424016) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
PubChem CID114424016
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCc2nncn2C)C1
InChIInChI=1S/C12H21N5O/c1-9-3-5-13-10(7-9)12(18)14-6-4-11-16-15-8-17(11)2/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyZNLOLYRCZOCPPK-UHFFFAOYSA-N
XLogP-0.14
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 63330423
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5-oxopiperazine-2-carboxamide
CID 107436502
(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63330633
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180
6-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 63332330
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 63330156
(1S,3R,4R)-4-amino-3-hydroxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 154817209
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423733
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627546
2-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 63330181
1-methyl-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 116655956

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide (CID 114424016) is 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide is CC1CCNC(C(=O)NCCc2nncn2C)C1.
What is the InChIKey of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
The InChIKey is ZNLOLYRCZOCPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-3-5-13-10(7-9)12(18)14-6-4-11-16-15-8-17(11)2/h8-10,13H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide?
4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide has a molecular weight of 251.33 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 114424016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).