3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide

C23H29N3O2 — CID 45484295

IUPAC3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c24-23(28)20-8-6-7-19(17-20)18-10-12-21(13-11-18)25-22(27)9-2-5-16-26-14-3-1-4-15-26/h6-8,10-13,17H,1-5,9,14-16H2,(H2,24,28)(H,25,27)
InChIKeyCGCIVWWRUWYOGV-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.05
Rot. Bonds8

About 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide

3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide (PubChem CID 45484295) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide
PubChem CID45484295
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O2/c24-23(28)20-8-6-7-19(17-20)18-10-12-21(13-11-18)25-22(27)9-2-5-16-26-14-3-1-4-15-26/h6-8,10-13,17H,1-5,9,14-16H2,(H2,24,28)(H,25,27)
InChIKeyCGCIVWWRUWYOGV-UHFFFAOYSA-N
XLogP4.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 4342
Amonafide
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Balicatib
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Acecainide Hydrochloride
CID 71417
Mozavaptan
CID 119369
Ar-42
CID 6918848
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
4-(N-methyl-2-phenylethylamino)-1-(3,5-dimethyl-4-propionylaminobenzoyl)piperidine
CID 219020
PJ-34
CID 4858
4'-Methylbenzanilide
CID 68497
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide?
The IUPAC name of 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide (CID 45484295) is 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide.
What is the SMILES notation for 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide?
The canonical SMILES for 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide?
The InChIKey is CGCIVWWRUWYOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c24-23(28)20-8-6-7-19(17-20)18-10-12-21(13-11-18)25-22(27)9-2-5-16-26-14-3-1-4-15-26/h6-8,10-13,17H,1-5,9,14-16H2,(H2,24,28)(H,25,27).
What are the key properties of 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide?
3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-piperidin-1-ylpentanoylamino)phenyl]benzamide is sourced from PubChem (CID 45484295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).