N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

C26H28N2O2 — CID 46047940

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESCOc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-30-25-15-9-8-12-22(25)20-27-18-16-24(17-19-27)28(23-13-6-3-7-14-23)26(29)21-10-4-2-5-11-21/h2-15,24H,16-20H2,1H3
InChIKeyUJUNKEPJEMIYQW-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.01
Rot. Bonds6

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (PubChem CID 46047940) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
PubChem CID46047940
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESCOc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c1-30-25-15-9-8-12-22(25)20-27-18-16-24(17-19-27)28(23-13-6-3-7-14-23)26(29)21-10-4-2-5-11-21/h2-15,24H,16-20H2,1H3
InChIKeyUJUNKEPJEMIYQW-UHFFFAOYSA-N
XLogP5.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-(4-fluorophenyl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46055052
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (CID 46047940) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is COc1ccccc1CN1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The InChIKey is UJUNKEPJEMIYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-30-25-15-9-8-12-22(25)20-27-18-16-24(17-19-27)28(23-13-6-3-7-14-23)26(29)21-10-4-2-5-11-21/h2-15,24H,16-20H2,1H3.
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide has a molecular weight of 400.52 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 46047940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).