2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C14H20N6O — CID 136563425

IUPAC2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCCC(c3ncc[nH]3)C2)nn1
InChIInChI=1S/C14H20N6O/c1-2-20-10-12(17-18-20)8-13(21)19-7-3-4-11(9-19)14-15-5-6-16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyQHFZCUXJTGTDNX-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.97
Rot. Bonds4

About 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 136563425) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID136563425
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCCC(c3ncc[nH]3)C2)nn1
InChIInChI=1S/C14H20N6O/c1-2-20-10-12(17-18-20)8-13(21)19-7-3-4-11(9-19)14-15-5-6-16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16)
InChIKeyQHFZCUXJTGTDNX-UHFFFAOYSA-N
XLogP0.97
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 139002874
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70749732
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
5-ethyl-N-[1-[2-(1-ethyltriazol-4-yl)acetyl]-3-hydroxypiperidin-4-yl]-1H-imidazole-4-carboxamide
CID 166343862
(3R)-3-(1H-imidazol-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidine-1-carboxamide
CID 126451352
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110471318
2-(1-benzylpiperidin-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70709077
(3S)-N-(3-ethoxy-4-methoxyphenyl)-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97212513
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 70735417
methyl 2-[(3S)-3-(1H-imidazol-2-yl)piperidin-1-yl]acetate
CID 97319118

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 136563425) is 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is CCn1cc(CC(=O)N2CCCC(c3ncc[nH]3)C2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is QHFZCUXJTGTDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-2-20-10-12(17-18-20)8-13(21)19-7-3-4-11(9-19)14-15-5-6-16-14/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 288.36 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-[3-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 136563425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).