(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one

C20H28N2O2 — CID 110184594

IUPAC(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
SMILESCOc1ccccc1N1CCN(/C=C/C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3/b12-11+
InChIKeyKBYOTOCLCCJDGJ-VAWYXSNFSA-N
MW328.46 g/mol
LogP3.48
Rot. Bonds5

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

(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 110184594) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID110184594
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
SMILESCOc1ccccc1N1CCN(/C=C/C(=O)C2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3/b12-11+
InChIKeyKBYOTOCLCCJDGJ-VAWYXSNFSA-N
XLogP3.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 1064562
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
azepan-1-yl-[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 109139041
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
1-cycloheptyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 15524030
(3R)-1-(4-fluorobenzoyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]azepan-2-one
CID 7777433
(Z)-2-cyano-N-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-enamide
CID 108831570
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 18726870

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one (CID 110184594) is (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one is COc1ccccc1N1CCN(/C=C/C(=O)C2CCCCC2)CC1.
What is the InChIKey of (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is KBYOTOCLCCJDGJ-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h5-6,9-12,17H,2-4,7-8,13-16H2,1H3/b12-11+.
What are the key properties of (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one?
(E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 328.46 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 110184594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).