3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

C23H27N3O2 — CID 109052099

IUPAC3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c27-22(24-20-9-11-21(12-10-20)25-13-4-5-14-25)18-7-6-8-19(17-18)23(28)26-15-2-1-3-16-26/h6-12,17H,1-5,13-16H2,(H,24,27)
InChIKeySQFRGWUGIQDSCK-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.17
Rot. Bonds4

About 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide

3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (PubChem CID 109052099) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
PubChem CID109052099
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27N3O2/c27-22(24-20-9-11-21(12-10-20)25-13-4-5-14-25)18-7-6-8-19(17-18)23(28)26-15-2-1-3-16-26/h6-12,17H,1-5,13-16H2,(H,24,27)
InChIKeySQFRGWUGIQDSCK-UHFFFAOYSA-N
XLogP4.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 109052385
3-N-tert-butyl-1-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056054
3-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 109056729
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-[4-(azepane-1-carbonyl)phenyl]-3-methylbenzamide
CID 17198989
3-amino-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 6939897
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3-fluoro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2971545
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704

Frequently Asked Questions

What is the IUPAC name of 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The IUPAC name of 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide (CID 109052099) is 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
The InChIKey is SQFRGWUGIQDSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(24-20-9-11-21(12-10-20)25-13-4-5-14-25)18-7-6-8-19(17-18)23(28)26-15-2-1-3-16-26/h6-12,17H,1-5,13-16H2,(H,24,27).
What are the key properties of 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide?
3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide is sourced from PubChem (CID 109052099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).