N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

C13H21N5O — CID 75443339

IUPACN-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C13H21N5O/c1-14-13(19)17-8-4-2-6-10(17)12-16-15-11-7-3-5-9-18(11)12/h10H,2-9H2,1H3,(H,14,19)
InChIKeyIXUMQFATBUFLLE-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.48
Rot. Bonds1

About N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide

N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (PubChem CID 75443339) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
PubChem CID75443339
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide
SMILESCNC(=O)N1CCCCC1c1nnc2n1CCCC2
InChIInChI=1S/C13H21N5O/c1-14-13(19)17-8-4-2-6-10(17)12-16-15-11-7-3-5-9-18(11)12/h10H,2-9H2,1H3,(H,14,19)
InChIKeyIXUMQFATBUFLLE-UHFFFAOYSA-N
XLogP1.48
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide (CID 75443339) is N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is CNC(=O)N1CCCCC1c1nnc2n1CCCC2.
What is the InChIKey of N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
The InChIKey is IXUMQFATBUFLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-13(19)17-8-4-2-6-10(17)12-16-15-11-7-3-5-9-18(11)12/h10H,2-9H2,1H3,(H,14,19).
What are the key properties of N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide?
N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75443339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).