2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide

C13H21N5O — CID 110194772

IUPAC2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-2-14-13(19)18-8-4-3-5-10(18)12-15-11(16-17-12)9-6-7-9/h9-10H,2-8H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyPEQCOYWYHSEQRX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide (PubChem CID 110194772) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
PubChem CID110194772
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1
InChIInChI=1S/C13H21N5O/c1-2-14-13(19)18-8-4-3-5-10(18)12-15-11(16-17-12)9-6-7-9/h9-10H,2-8H2,1H3,(H,14,19)(H,15,16,17)
InChIKeyPEQCOYWYHSEQRX-UHFFFAOYSA-N
XLogP1.94
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 75476886
(3R)-3-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-N-ethylpiperidine-1-carboxamide
CID 97350725
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
(2R)-N-[(2S)-5-methylhexan-2-yl]-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 137216218
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 91653832
N-cyclopentyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 91903863
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
N-ethyl-2-(2-hydroxycyclopentyl)piperidine-1-carboxamide
CID 79545828
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)cyclohexane-1-carboxylic acid
CID 61347315
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide (CID 110194772) is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCCC1c1nc(C2CC2)n[nH]1.
What is the InChIKey of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide?
The InChIKey is PEQCOYWYHSEQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-14-13(19)18-8-4-3-5-10(18)12-15-11(16-17-12)9-6-7-9/h9-10H,2-8H2,1H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide?
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 110194772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).