(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one

C17H24N2O3 — CID 39306054

IUPAC(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-3-12-22-15-6-4-14(13-16(15)21-2)5-7-17(20)19-10-8-18-9-11-19/h4-7,13,18H,3,8-12H2,1-2H3/b7-5+
InChIKeySPADEKJPPCNSIP-FNORWQNLSA-N
MW304.39 g/mol
LogP1.93
Rot. Bonds6

About (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one

(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one (PubChem CID 39306054) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one
PubChem CID39306054
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one
SMILESCCCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OC
InChIInChI=1S/C17H24N2O3/c1-3-12-22-15-6-4-14(13-16(15)21-2)5-7-17(20)19-10-8-18-9-11-19/h4-7,13,18H,3,8-12H2,1-2H3/b7-5+
InChIKeySPADEKJPPCNSIP-FNORWQNLSA-N
XLogP1.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxy-4-propoxyphenyl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 19167488
N,N-diethyl-2-[4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 55446881
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
(Z)-3-(3-amino-4-butoxyphenyl)-1-(1,4-diazepan-1-yl)prop-2-en-1-one
CID 94760111
(E)-3-(4-butoxy-3-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 26868796
(E)-3-(3-methoxy-4-propoxyphenyl)-1-[4-(3-nitrophenyl)piperazin-1-yl]prop-2-en-1-one
CID 55742942
(E)-1-(4-acetylpiperazin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 35741568
1-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-sulfonyl fluoride
CID 166409046
4-chloro-1-[4-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]butan-1-one
CID 162351641
[4-[(1E,6E)-7-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] piperazine-1-carboxylate
CID 71504243
(E)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one
CID 55768978
(E)-3-(4-butoxy-3-methoxyphenyl)-1-(2,2-dimethylmorpholin-4-yl)prop-2-en-1-one
CID 55675477

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one (CID 39306054) is (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one is CCCOc1ccc(/C=C/C(=O)N2CCNCC2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one?
The InChIKey is SPADEKJPPCNSIP-FNORWQNLSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-12-22-15-6-4-14(13-16(15)21-2)5-7-17(20)19-10-8-18-9-11-19/h4-7,13,18H,3,8-12H2,1-2H3/b7-5+.
What are the key properties of (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one?
(E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one has a molecular weight of 304.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-propoxyphenyl)-1-piperazin-1-ylprop-2-en-1-one is sourced from PubChem (CID 39306054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).