3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide

C23H28N2O2 — CID 109055941

IUPAC3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)C1
InChIInChI=1S/C23H28N2O2/c1-18-8-7-15-25(17-18)23(27)21-13-5-12-20(16-21)22(26)24-14-6-11-19-9-3-2-4-10-19/h2-5,9-10,12-13,16,18H,6-8,11,14-15,17H2,1H3,(H,24,26)
InChIKeyCBMWBZFVYJHPML-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.92
Rot. Bonds6

About 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide

3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide (PubChem CID 109055941) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
PubChem CID109055941
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)C1
InChIInChI=1S/C23H28N2O2/c1-18-8-7-15-25(17-18)23(27)21-13-5-12-20(16-21)22(26)24-14-6-11-19-9-3-2-4-10-19/h2-5,9-10,12-13,16,18H,6-8,11,14-15,17H2,1H3,(H,24,26)
InChIKeyCBMWBZFVYJHPML-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052025
N-[2-(4-fluorophenyl)ethyl]-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109055423
4-(3-methylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047837
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109099081
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxo-N-(3-phenylpropyl)propanamide
CID 108965805
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide (CID 109055941) is 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide is CC1CCCN(C(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)C1.
What is the InChIKey of 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide?
The InChIKey is CBMWBZFVYJHPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-18-8-7-15-25(17-18)23(27)21-13-5-12-20(16-21)22(26)24-14-6-11-19-9-3-2-4-10-19/h2-5,9-10,12-13,16,18H,6-8,11,14-15,17H2,1H3,(H,24,26).
What are the key properties of 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide?
3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide has a molecular weight of 364.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 109055941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).