4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide

C18H23N3O2 — CID 75535665

IUPAC4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
SMILESNC(=O)c1ccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-18(23)16-6-3-14(4-7-16)5-8-17(22)21-11-9-20(10-12-21)13-15-1-2-15/h3-8,15H,1-2,9-13H2,(H2,19,23)/b8-5+
InChIKeyIEDHCJBWSPOBOI-VMPITWQZSA-N
MW313.40 g/mol
LogP1.35
Rot. Bonds5

About 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide

4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide (PubChem CID 75535665) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
PubChem CID75535665
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
SMILESNC(=O)c1ccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C18H23N3O2/c19-18(23)16-6-3-14(4-7-16)5-8-17(22)21-11-9-20(10-12-21)13-15-1-2-15/h3-8,15H,1-2,9-13H2,(H2,19,23)/b8-5+
InChIKeyIEDHCJBWSPOBOI-VMPITWQZSA-N
XLogP1.35
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide 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

4-[(E)-3-[4-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 60957895
4-(3-oxo-3-piperidin-1-ylprop-1-enyl)benzamide
CID 77047625
4-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 76941839
4-[(E)-3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 43589542
4-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 126779933
N-cyclopropyl-4-[(E)-3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-3-oxoprop-1-enyl]benzamide
CID 39633785
methyl 4-[3-(4-ethylpiperazin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 102603155
(2S)-1-[(E)-3-(4-carbamoylphenyl)prop-2-enoyl]pyrrolidine-2-carboxylic acid
CID 51885587
methyl 4-[(E)-3-(4-aminopiperidin-1-yl)-3-oxoprop-1-enyl]benzoate
CID 92922385
(E)-1-(4-aminopiperidin-1-yl)-3-(4-ethylphenyl)prop-2-en-1-one
CID 82042424
4-amino-3-[4-(cyclopropylmethyl)piperazin-1-yl]benzamide
CID 63356184
(E)-3-(4-aminophenyl)-1-(4-benzylpiperidin-1-yl)prop-2-en-1-one
CID 84552569

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide (CID 75535665) is 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide is NC(=O)c1ccc(/C=C/C(=O)N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
The InChIKey is IEDHCJBWSPOBOI-VMPITWQZSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-18(23)16-6-3-14(4-7-16)5-8-17(22)21-11-9-20(10-12-21)13-15-1-2-15/h3-8,15H,1-2,9-13H2,(H2,19,23)/b8-5+.
What are the key properties of 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide?
4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 75535665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).