4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide

C33H34N2O2 — CID 44530672

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O2/c36-33(34-31-12-7-13-32(23-31)37-25-29-10-5-2-6-11-29)30-16-14-28(15-17-30)24-35-20-18-27(19-21-35)22-26-8-3-1-4-9-26/h1-17,23,27H,18-22,24-25H2,(H,34,36)
InChIKeyBAWJCVJDAMADPR-UHFFFAOYSA-N
MW490.65 g/mol
LogP6.97
Rot. Bonds9

About 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide

4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide (PubChem CID 44530672) has the molecular formula C33H34N2O2 and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide
PubChem CID44530672
Molecular FormulaC33H34N2O2
Molecular Weight490.65 g/mol
Exact Mass490.26
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C33H34N2O2/c36-33(34-31-12-7-13-32(23-31)37-25-29-10-5-2-6-11-29)30-16-14-28(15-17-30)24-35-20-18-27(19-21-35)22-26-8-3-1-4-9-26/h1-17,23,27H,18-22,24-25H2,(H,34,36)
InChIKeyBAWJCVJDAMADPR-UHFFFAOYSA-N
XLogP6.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide (CID 44530672) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide is O=C(Nc1cccc(OCc2ccccc2)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide?
The InChIKey is BAWJCVJDAMADPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O2/c36-33(34-31-12-7-13-32(23-31)37-25-29-10-5-2-6-11-29)30-16-14-28(15-17-30)24-35-20-18-27(19-21-35)22-26-8-3-1-4-9-26/h1-17,23,27H,18-22,24-25H2,(H,34,36).
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide has a molecular weight of 490.65 g/mol, XLogP of 6.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(3-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 44530672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).