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

C13H23N5O — CID 126445765

IUPAC(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCc2cn[nH]n2)C1
InChIInChI=1S/C13H23N5O/c1-3-18-8-4-6-13(2,10-18)12(19)14-7-5-11-9-15-17-16-11/h9H,3-8,10H2,1-2H3,(H,14,19)(H,15,16,17)/t13-/m0/s1
InChIKeyUGHFHILYRUCSTJ-ZDUSSCGKSA-N
MW265.36 g/mol
LogP0.59
Rot. Bonds5

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

(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 126445765) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID126445765
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCCN1CCC[C@](C)(C(=O)NCCc2cn[nH]n2)C1
InChIInChI=1S/C13H23N5O/c1-3-18-8-4-6-13(2,10-18)12(19)14-7-5-11-9-15-17-16-11/h9H,3-8,10H2,1-2H3,(H,14,19)(H,15,16,17)/t13-/m0/s1
InChIKeyUGHFHILYRUCSTJ-ZDUSSCGKSA-N
XLogP0.59
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide (CID 126445765) is (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide is CCN1CCC[C@](C)(C(=O)NCCc2cn[nH]n2)C1.
What is the InChIKey of (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is UGHFHILYRUCSTJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23N5O/c1-3-18-8-4-6-13(2,10-18)12(19)14-7-5-11-9-15-17-16-11/h9H,3-8,10H2,1-2H3,(H,14,19)(H,15,16,17)/t13-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide?
(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 126445765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).