3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide

C24H25N3O3 — CID 172887237

IUPAC3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccc(C4CC4)c3)cc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-22(28)26-12-14-27(15-13-26)24(30)18-8-10-21(11-9-18)25-23(29)20-5-3-4-19(16-20)17-6-7-17/h2-5,8-11,16-17H,1,6-7,12-15H2,(H,25,29)
InChIKeyMEVAAEIIMYIRHS-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.29
Rot. Bonds5

About 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide

3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide (PubChem CID 172887237) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide
PubChem CID172887237
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide
SMILESC=CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccc(C4CC4)c3)cc2)CC1
InChIInChI=1S/C24H25N3O3/c1-2-22(28)26-12-14-27(15-13-26)24(30)18-8-10-21(11-9-18)25-23(29)20-5-3-4-19(16-20)17-6-7-17/h2-5,8-11,16-17H,1,6-7,12-15H2,(H,25,29)
InChIKeyMEVAAEIIMYIRHS-UHFFFAOYSA-N
XLogP3.29
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-prop-2-enoylpiperidin-4-yl)benzoic acid
CID 155822930
N-[4-[4-(3-chlorophenyl)piperidine-1-carbonyl]phenyl]prop-2-enamide
CID 166405289
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide (CID 172887237) is 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide is C=CC(=O)N1CCN(C(=O)c2ccc(NC(=O)c3cccc(C4CC4)c3)cc2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is MEVAAEIIMYIRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-2-22(28)26-12-14-27(15-13-26)24(30)18-8-10-21(11-9-18)25-23(29)20-5-3-4-19(16-20)17-6-7-17/h2-5,8-11,16-17H,1,6-7,12-15H2,(H,25,29).
What are the key properties of 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide?
3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[4-(4-prop-2-enoylpiperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 172887237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).