(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

C24H33N3O2 — CID 42842736

IUPAC(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H33N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,12-13,21,23H,4-7,10-11,14-19H2/b13-12+
InChIKeyWDBHPOJPPUHSFW-OUKQBFOZSA-N
MW395.55 g/mol
LogP3.03
Rot. Bonds5

About (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one

(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one (PubChem CID 42842736) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
PubChem CID42842736
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H33N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,12-13,21,23H,4-7,10-11,14-19H2/b13-12+
InChIKeyWDBHPOJPPUHSFW-OUKQBFOZSA-N
XLogP3.03
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-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-[4-[1-cyclopentyl-2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42842348
1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 154795037
(E)-3-phenyl-1-(3-phenylazepan-1-yl)prop-2-en-1-one
CID 90608464
(E)-1-(4-hydroxypiperidin-1-yl)-3-phenylprop-2-en-1-one
CID 43415922
1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 846355
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
2-cyclopentyl-2-[4-(3-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 46152855
(E)-1-[4-[(2S)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 97038768
4-(3-phenylprop-2-enoyl)piperazine-1-carbaldehyde
CID 85433979
N-cyclopropyl-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26693864
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-1-piperidin-1-ylethanone
CID 46023982

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one (CID 42842736) is (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)N1CCN(C(C(=O)N2CCCC2)C2CCCC2)CC1.
What is the InChIKey of (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
The InChIKey is WDBHPOJPPUHSFW-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H33N3O2/c28-22(13-12-20-8-2-1-3-9-20)25-16-18-26(19-17-25)23(21-10-4-5-11-21)24(29)27-14-6-7-15-27/h1-3,8-9,12-13,21,23H,4-7,10-11,14-19H2/b13-12+.
What are the key properties of (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one?
(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one has a molecular weight of 395.55 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 42842736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).