(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

C18H26N2O — CID 2168517

IUPAC(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-19-11-13-20(14-12-19)18(21)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15H,4,11-14H2,1-3H3/b10-7+
InChIKeyBTYDXIFKMKSDTM-JXMROGBWSA-N
MW286.42 g/mol
LogP2.99
Rot. Bonds4

About (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one

(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one (PubChem CID 2168517) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
PubChem CID2168517
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one
SMILESCCN1CCN(C(=O)/C=C/c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C18H26N2O/c1-4-19-11-13-20(14-12-19)18(21)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15H,4,11-14H2,1-3H3/b10-7+
InChIKeyBTYDXIFKMKSDTM-JXMROGBWSA-N
XLogP2.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one (CID 2168517) is (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one is CCN1CCN(C(=O)/C=C/c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
The InChIKey is BTYDXIFKMKSDTM-JXMROGBWSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-19-11-13-20(14-12-19)18(21)10-7-16-5-8-17(9-6-16)15(2)3/h5-10,15H,4,11-14H2,1-3H3/b10-7+.
What are the key properties of (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one?
(E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethylpiperazin-1-yl)-3-(4-propan-2-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 2168517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).