4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

C25H32N2O3 — CID 26168496

IUPAC4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-3-4-8-18-30-23-14-12-20(13-15-23)24(28)26-22-11-9-10-21(19-22)25(29)27-16-6-5-7-17-27/h9-15,19H,2-8,16-18H2,1H3,(H,26,28)
InChIKeyZHCXSEPUGNIWIX-UHFFFAOYSA-N
MW408.54 g/mol
LogP5.52
Rot. Bonds9

About 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide

4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (PubChem CID 26168496) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
PubChem CID26168496
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
SMILESCCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C25H32N2O3/c1-2-3-4-8-18-30-23-14-12-20(13-15-23)24(28)26-22-11-9-10-21(19-22)25(29)27-16-6-5-7-17-27/h9-15,19H,2-8,16-18H2,1H3,(H,26,28)
InChIKeyZHCXSEPUGNIWIX-UHFFFAOYSA-N
XLogP5.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.54
LogP ≤ 55.52
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

N-[3-(azepane-1-carbonyl)phenyl]-4-butoxybenzamide
CID 26159451
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096
3-[(4-hexoxybenzoyl)amino]benzoic acid
CID 45425945
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
4-butoxy-N-(3-hexoxyphenyl)benzamide
CID 17094812
3-(2-phenoxyethoxy)-N-[3-(piperidine-1-carbonyl)phenyl]benzamide
CID 26168534
N-[3-(azepane-1-carbonyl)phenyl]-3-(2-phenoxyethoxy)benzamide
CID 26159512
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
3-[(4-heptoxybenzoyl)amino]-N-propylbenzamide
CID 17222708
N-butyl-3-[(4-heptoxybenzoyl)amino]benzamide
CID 17196990

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide (CID 26168496) is 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is CCCCCCOc1ccc(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
The InChIKey is ZHCXSEPUGNIWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-2-3-4-8-18-30-23-14-12-20(13-15-23)24(28)26-22-11-9-10-21(19-22)25(29)27-16-6-5-7-17-27/h9-15,19H,2-8,16-18H2,1H3,(H,26,28).
What are the key properties of 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide?
4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-[3-(piperidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 26168496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).