4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide

C21H24N2O — CID 75538554

IUPAC4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O/c1-2-14-23-15-12-20(13-16-23)22-21(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11,20H,1,12-16H2,(H,22,24)
InChIKeyHPMUBWYZUXRQMA-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.73
Rot. Bonds5

About 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide

4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide (PubChem CID 75538554) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
PubChem CID75538554
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
SMILESC=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C21H24N2O/c1-2-14-23-15-12-20(13-16-23)22-21(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11,20H,1,12-16H2,(H,22,24)
InChIKeyHPMUBWYZUXRQMA-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-prop-2-enylpiperidin-4-yl)carbamoyl]naphthalene-2-carboxylic acid
CID 167783469
3-fluoro-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 91938316
3-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 119879126
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
2-amino-N-(1-prop-2-enylpiperidin-4-yl)benzamide;dihydrochloride
CID 119947092
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
2-amino-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)acetamide
CID 119879084
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
cis-(1R,2S)-2-phenyl-N-(1-prop-2-enylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 97457906
2-methylpropyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559390

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The IUPAC name of 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide (CID 75538554) is 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide is C=CCN1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
The InChIKey is HPMUBWYZUXRQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-2-14-23-15-12-20(13-16-23)22-21(24)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h2-11,20H,1,12-16H2,(H,22,24).
What are the key properties of 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide?
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide has a molecular weight of 320.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide is sourced from PubChem (CID 75538554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).