N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

C23H30N2O2 — CID 112503883

IUPACN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCCOc1ccc(C(CNC(=O)c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-27-21-13-11-19(12-14-21)22(25-15-5-4-6-16-25)17-24-23(26)20-9-7-18(2)8-10-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyDKMLZFPDBIIBCD-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide

N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (PubChem CID 112503883) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
PubChem CID112503883
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
SMILESCCOc1ccc(C(CNC(=O)c2ccc(C)cc2)N2CCCCC2)cc1
InChIInChI=1S/C23H30N2O2/c1-3-27-21-13-11-19(12-14-21)22(25-15-5-4-6-16-25)17-24-23(26)20-9-7-18(2)8-10-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26)
InChIKeyDKMLZFPDBIIBCD-UHFFFAOYSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 43843308
N-[(2S)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 35574265
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-3-ethoxybenzamide
CID 34954508
N-[(2S)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-4-ethoxybenzamide
CID 7496411
4-ethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931313
4-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951585
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 40782504
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112503867
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 35180369
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 17012429
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]butanamide
CID 112503869

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide (CID 112503883) is N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is CCOc1ccc(C(CNC(=O)c2ccc(C)cc2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
The InChIKey is DKMLZFPDBIIBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-3-27-21-13-11-19(12-14-21)22(25-15-5-4-6-16-25)17-24-23(26)20-9-7-18(2)8-10-20/h7-14,22H,3-6,15-17H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide?
N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide is sourced from PubChem (CID 112503883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).