3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide

C25H26N2O2 — CID 2275832

IUPAC3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-12-14-23(15-13-22)27-16-5-2-6-17-27)21-10-7-11-24(18-21)29-19-20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28)
InChIKeyRJRCLAZHTHJDQP-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.51
Rot. Bonds6

About 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide

3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 2275832) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID2275832
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C25H26N2O2/c28-25(26-22-12-14-23(15-13-22)27-16-5-2-6-17-27)21-10-7-11-24(18-21)29-19-20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28)
InChIKeyRJRCLAZHTHJDQP-UHFFFAOYSA-N
XLogP5.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.51
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

N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-phenylmethoxybenzamide
CID 7085466
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
3-phenylmethoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 3296520
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
3-phenylmethoxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)benzamide
CID 56527384
3-(cyanomethyl)-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 82179569
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
N-(3,4-dichlorophenyl)-3-phenylmethoxybenzamide
CID 17148514

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide (CID 2275832) is 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is RJRCLAZHTHJDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-25(26-22-12-14-23(15-13-22)27-16-5-2-6-17-27)21-10-7-11-24(18-21)29-19-20-8-3-1-4-9-20/h1,3-4,7-15,18H,2,5-6,16-17,19H2,(H,26,28).
What are the key properties of 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide?
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 386.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2275832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).