1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one

C16H22N2O2 — CID 54096458

IUPAC1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccc(C=CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-13(2)20-15-6-3-14(4-7-15)5-8-16(19)18-11-9-17-10-12-18/h3-8,13,17H,9-12H2,1-2H3
InChIKeyMXLJWGKRAQMUQS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.92
Rot. Bonds4

About 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one

1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one (PubChem CID 54096458) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
PubChem CID54096458
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
SMILESCC(C)Oc1ccc(C=CC(=O)N2CCNCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-13(2)20-15-6-3-14(4-7-15)5-8-16(19)18-11-9-17-10-12-18/h3-8,13,17H,9-12H2,1-2H3
InChIKeyMXLJWGKRAQMUQS-UHFFFAOYSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111560958
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 82153471
(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 773630
propan-2-yl 3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 140807731
2-oxo-2-piperazin-1-yl-N-(4-propan-2-yloxyphenyl)ethanesulfonamide
CID 119401538
tert-butyl (E)-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 130331817
2-(4-chlorophenoxy)-1-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propan-1-one
CID 108568868
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
(Z)-3-(3-amino-4-propan-2-yloxyphenyl)-1-(azepan-1-yl)prop-2-en-1-one
CID 82153453
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(3-propan-2-yloxyphenyl)prop-2-en-1-one
CID 111105265
(E)-3-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)prop-2-en-1-one
CID 881729
2-piperazin-1-yl-1-(4-propan-2-yloxyphenyl)ethanone
CID 82263317

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one (CID 54096458) is 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one is CC(C)Oc1ccc(C=CC(=O)N2CCNCC2)cc1.
What is the InChIKey of 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
The InChIKey is MXLJWGKRAQMUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-13(2)20-15-6-3-14(4-7-15)5-8-16(19)18-11-9-17-10-12-18/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one?
1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one has a molecular weight of 274.36 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 54096458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).