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

C28H32N2O2 — CID 46052058

IUPACN-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H32N2O2/c1-3-22-13-15-25(16-14-22)30(28(31)23-9-5-4-6-10-23)26-17-19-29(20-18-26)21-24-11-7-8-12-27(24)32-2/h4-16,26H,3,17-21H2,1-2H3
InChIKeyGJBKAGPUETZOJP-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.57
Rot. Bonds7

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

N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46052058) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46052058
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3OC)CC2)cc1
InChIInChI=1S/C28H32N2O2/c1-3-22-13-15-25(16-14-22)30(28(31)23-9-5-4-6-10-23)26-17-19-29(20-18-26)21-24-11-7-8-12-27(24)32-2/h4-16,26H,3,17-21H2,1-2H3
InChIKeyGJBKAGPUETZOJP-UHFFFAOYSA-N
XLogP5.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-(4-fluorophenyl)-2-methoxy-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46048053
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-(4-ethylphenyl)-4-fluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 46052023
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 46052058) is N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide is CCc1ccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccccc3OC)CC2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is GJBKAGPUETZOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-3-22-13-15-25(16-14-22)30(28(31)23-9-5-4-6-10-23)26-17-19-29(20-18-26)21-24-11-7-8-12-27(24)32-2/h4-16,26H,3,17-21H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide?
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 428.58 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46052058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).