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

C22H26N2O2 — CID 109052025

IUPACN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O2/c25-21(23-14-8-11-18-9-3-1-4-10-18)19-12-7-13-20(17-19)22(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13,17H,2,5-6,8,11,14-16H2,(H,23,25)
InChIKeyIRMCSNAWIKLKSQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.68
Rot. Bonds6

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

N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109052025) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
PubChem CID109052025
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C22H26N2O2/c25-21(23-14-8-11-18-9-3-1-4-10-18)19-12-7-13-20(17-19)22(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13,17H,2,5-6,8,11,14-16H2,(H,23,25)
InChIKeyIRMCSNAWIKLKSQ-UHFFFAOYSA-N
XLogP3.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.68
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

3-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109055941
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
3-(azepane-1-carbonyl)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 109055683
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
N-[2-(2-fluorophenyl)ethyl]-3-(piperidine-1-carbonyl)benzamide
CID 109052000
N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063301
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide (CID 109052025) is N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide is O=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is IRMCSNAWIKLKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-21(23-14-8-11-18-9-3-1-4-10-18)19-12-7-13-20(17-19)22(26)24-15-5-2-6-16-24/h1,3-4,7,9-10,12-13,17H,2,5-6,8,11,14-16H2,(H,23,25).
What are the key properties of N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide?
N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 350.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylpropyl)-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109052025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).