2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide

C12H21N5O — CID 110194762

IUPAC2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C12H21N5O/c1-3-7-13-12(18)17-8-5-4-6-10(17)11-14-9(2)15-16-11/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyQALVPHZLSDOYNR-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.76
Rot. Bonds3

About 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide

2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide (PubChem CID 110194762) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
PubChem CID110194762
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCCCC1c1n[nH]c(C)n1
InChIInChI=1S/C12H21N5O/c1-3-7-13-12(18)17-8-5-4-6-10(17)11-14-9(2)15-16-11/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16)
InChIKeyQALVPHZLSDOYNR-UHFFFAOYSA-N
XLogP1.76
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide (CID 110194762) is 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCCCC1c1n[nH]c(C)n1.
What is the InChIKey of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
The InChIKey is QALVPHZLSDOYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-7-13-12(18)17-8-5-4-6-10(17)11-14-9(2)15-16-11/h10H,3-8H2,1-2H3,(H,13,18)(H,14,15,16).
What are the key properties of 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide?
2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-1,2,4-triazol-3-yl)-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 110194762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).