2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone

C17H23N5O2 — CID 164640240

IUPAC2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)nn1
InChIInChI=1S/C17H23N5O2/c1-3-22-11-14(19-20-22)10-17(23)21-9-8-18-16(12-21)13-4-6-15(24-2)7-5-13/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1
InChIKeyVZGDHNZMOWFBPR-INIZCTEOSA-N
MW329.40 g/mol
LogP1.02
Rot. Bonds5

About 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone

2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 164640240) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID164640240
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCCn1cc(CC(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)nn1
InChIInChI=1S/C17H23N5O2/c1-3-22-11-14(19-20-22)10-17(23)21-9-8-18-16(12-21)13-4-6-15(24-2)7-5-13/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1
InChIKeyVZGDHNZMOWFBPR-INIZCTEOSA-N
XLogP1.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone (CID 164640240) is 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone is CCn1cc(CC(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is VZGDHNZMOWFBPR-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-22-11-14(19-20-22)10-17(23)21-9-8-18-16(12-21)13-4-6-15(24-2)7-5-13/h4-7,11,16,18H,3,8-10,12H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone?
2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-[(3R)-3-(4-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 164640240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).