1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone

C11H18N4O — CID 84735384

IUPAC1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
SMILESCCn1nncc1C(=O)CC1CCNCC1
InChIInChI=1S/C11H18N4O/c1-2-15-10(8-13-14-15)11(16)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyTVKPIYJUTGMQKF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.87
Rot. Bonds4

About 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone

1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone (PubChem CID 84735384) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
PubChem CID84735384
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
SMILESCCn1nncc1C(=O)CC1CCNCC1
InChIInChI=1S/C11H18N4O/c1-2-15-10(8-13-14-15)11(16)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3
InChIKeyTVKPIYJUTGMQKF-UHFFFAOYSA-N
XLogP0.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-ethyltriazol-4-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 130484446
(3-propyltriazol-4-yl)-pyrrolidin-3-ylmethanone
CID 114691988
4-(3-ethyltriazol-4-yl)-4-oxobutanoic acid
CID 84733430
2-piperidin-4-yl-1-pyrazin-2-ylethanone
CID 116559954
1-(3-ethyltriazol-4-yl)-2,2-dimethylpropan-1-one
CID 126974247
(4-tert-butylcyclohexyl)-(3-ethyltriazol-4-yl)methanone
CID 114213063
1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
CID 114668710
1-(5-methylthiophen-3-yl)-2-piperidin-4-ylethanone
CID 58514712
(3-ethyltriazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 114213404
1-(2-amino-5-methyl-3-pyridinyl)-2-piperidin-4-ylethanone
CID 116560007
(E)-1-(3-ethyltriazol-4-yl)but-2-en-1-one
CID 130484243
4-[(5-bromotriazol-1-yl)methyl]piperidine
CID 84802804

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone (CID 84735384) is 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone is CCn1nncc1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone?
The InChIKey is TVKPIYJUTGMQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-10(8-13-14-15)11(16)7-9-3-5-12-6-4-9/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone?
1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone has a molecular weight of 222.29 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 84735384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).