(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one

C21H23ClN2O — CID 9209995

IUPAC(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN2O/c1-2-17-7-9-18(10-8-17)11-12-21(25)24-15-13-23(14-16-24)20-6-4-3-5-19(20)22/h3-12H,2,13-16H2,1H3/b12-11+
InChIKeyDHRJZGGSOXPQHB-VAWYXSNFSA-N
MW354.88 g/mol
LogP4.26
Rot. Bonds4

About (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one

(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 9209995) has the molecular formula C21H23ClN2O and a molecular weight of 354.88 g/mol. Its IUPAC name is (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one
PubChem CID9209995
Molecular FormulaC21H23ClN2O
Molecular Weight354.88 g/mol
Exact Mass354.15
IUPAC Name(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)N2CCN(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C21H23ClN2O/c1-2-17-7-9-18(10-8-17)11-12-21(25)24-15-13-23(14-16-24)20-6-4-3-5-19(20)22/h3-12H,2,13-16H2,1H3/b12-11+
InChIKeyDHRJZGGSOXPQHB-VAWYXSNFSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.26
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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Related Compounds

N-[4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenyl]methanesulfonamide
CID 46557565
2-[4-[(E)-3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]phenoxy]acetamide
CID 134030137
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-1-[4-(2-chlorophenyl)piperazin-1-yl]prop-2-en-1-one
CID 74852264
(E)-1-[4-(2-methylphenyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 8910877
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 5105018
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 46559839
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 82042424
(E)-3-(4-ethylphenyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)prop-2-en-1-one
CID 80706428
1-[3-(4-ethylphenyl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 76985410
(E)-1-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one
CID 9156812
4-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxoprop-1-enyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 5164208
(E)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 6007464

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one (CID 9209995) is (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)N2CCN(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is DHRJZGGSOXPQHB-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H23ClN2O/c1-2-17-7-9-18(10-8-17)11-12-21(25)24-15-13-23(14-16-24)20-6-4-3-5-19(20)22/h3-12H,2,13-16H2,1H3/b12-11+.
What are the key properties of (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one?
(E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 354.88 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(2-chlorophenyl)piperazin-1-yl]-3-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 9209995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).