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

C12H21N5O — CID 80682666

IUPAC2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C12H21N5O/c1-9-10(4-3-6-13-9)12(18)14-7-5-11-15-8-17(2)16-11/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyPPYHGGMGRIIZBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.14
Rot. Bonds4

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

2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (PubChem CID 80682666) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
PubChem CID80682666
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide
SMILESCC1NCCCC1C(=O)NCCc1ncn(C)n1
InChIInChI=1S/C12H21N5O/c1-9-10(4-3-6-13-9)12(18)14-7-5-11-15-8-17(2)16-11/h8-10,13H,3-7H2,1-2H3,(H,14,18)
InChIKeyPPYHGGMGRIIZBL-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide (CID 80682666) is 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is CC1NCCCC1C(=O)NCCc1ncn(C)n1.
What is the InChIKey of 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is PPYHGGMGRIIZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-10(4-3-6-13-9)12(18)14-7-5-11-15-8-17(2)16-11/h8-10,13H,3-7H2,1-2H3,(H,14,18).
What are the key properties of 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide?
2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-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 2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 80682666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).