(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one

C21H24N4O2 — CID 36511505

IUPAC(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(10-9-17-15-22-18-7-3-4-8-19(18)23-17)24-11-13-25(14-12-24)21(27)16-5-1-2-6-16/h3-4,7-10,15-16H,1-2,5-6,11-14H2/b10-9+
InChIKeyOLBDYSUPOMANJI-MDZDMXLPSA-N
MW364.45 g/mol
LogP2.50
Rot. Bonds3

About (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one

(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one (PubChem CID 36511505) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
PubChem CID36511505
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C21H24N4O2/c26-20(10-9-17-15-22-18-7-3-4-8-19(18)23-17)24-11-13-25(14-12-24)21(27)16-5-1-2-6-16/h3-4,7-10,15-16H,1-2,5-6,11-14H2/b10-9+
InChIKeyOLBDYSUPOMANJI-MDZDMXLPSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-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

1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-3-carboxamide
CID 78784791
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
(Z)-1-[(3R)-3-anilinopyrrolidin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 98499166
(E)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one
CID 33014689
N-(5-methyl-1,2-oxazol-3-yl)-1-[(E)-3-quinoxalin-2-ylprop-2-enoyl]piperidine-4-carboxamide
CID 39701776
(E)-3-(1,3-benzothiazol-2-yl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]prop-2-en-1-one
CID 9389766
cyclobutyl-(4-quinoxalin-2-yl-1,4-diazepan-1-yl)methanone
CID 166603282
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]quinoxaline-2-carboxamide
CID 47031610
(E)-1-[4-(4-cyclopentylpiperazine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 134020859
(E)-N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-quinoxalin-2-ylprop-2-enamide
CID 56817914
N,N-dimethyl-1-[4-(3-quinoxalin-2-ylprop-2-enoyl)benzoyl]piperidine-4-carboxamide
CID 67014900
(E)-N-(2-piperidin-1-ylphenyl)-3-quinoxalin-2-ylprop-2-enamide
CID 29292187

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one (CID 36511505) is (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one is O=C(/C=C/c1cnc2ccccc2n1)N1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
The InChIKey is OLBDYSUPOMANJI-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(10-9-17-15-22-18-7-3-4-8-19(18)23-17)24-11-13-25(14-12-24)21(27)16-5-1-2-6-16/h3-4,7-10,15-16H,1-2,5-6,11-14H2/b10-9+.
What are the key properties of (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one?
(E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-quinoxalin-2-ylprop-2-en-1-one is sourced from PubChem (CID 36511505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).