3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C28H35N3O3 — CID 46333982

IUPAC3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCCCN4CCCC4=O)c3)C2)cc1
InChIInChI=1S/C28H35N3O3/c1-2-21-11-13-22(14-12-21)28(34)31-17-4-9-25(20-31)23-7-3-8-24(19-23)27(33)29-15-6-18-30-16-5-10-26(30)32/h3,7-8,11-14,19,25H,2,4-6,9-10,15-18,20H2,1H3,(H,29,33)
InChIKeyHKMJSDWFTKIJTR-UHFFFAOYSA-N
MW461.61 g/mol
LogP4.01
Rot. Bonds8

About 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 46333982) has the molecular formula C28H35N3O3 and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID46333982
Molecular FormulaC28H35N3O3
Molecular Weight461.61 g/mol
Exact Mass461.27
IUPAC Name3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESCCc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCCCN4CCCC4=O)c3)C2)cc1
InChIInChI=1S/C28H35N3O3/c1-2-21-11-13-22(14-12-21)28(34)31-17-4-9-25(20-31)23-7-3-8-24(19-23)27(33)29-15-6-18-30-16-5-10-26(30)32/h3,7-8,11-14,19,25H,2,4-6,9-10,15-18,20H2,1H3,(H,29,33)
InChIKeyHKMJSDWFTKIJTR-UHFFFAOYSA-N
XLogP4.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 92872421
N-[2-(cyclohexen-1-yl)ethyl]-3-[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872415
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 92872462
N-cyclopentyl-3-[1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 46333971
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 46333982) is 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is CCc1ccc(C(=O)N2CCCC(c3cccc(C(=O)NCCCN4CCCC4=O)c3)C2)cc1.
What is the InChIKey of 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is HKMJSDWFTKIJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O3/c1-2-21-11-13-22(14-12-21)28(34)31-17-4-9-25(20-31)23-7-3-8-24(19-23)27(33)29-15-6-18-30-16-5-10-26(30)32/h3,7-8,11-14,19,25H,2,4-6,9-10,15-18,20H2,1H3,(H,29,33).
What are the key properties of 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylbenzoyl)piperidin-3-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 46333982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).