1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

C28H32N2O4 — CID 167387723

IUPAC1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)ccc1O
InChIInChI=1S/C28H32N2O4/c1-3-34-27-16-20(10-11-26(27)31)19-30-14-12-21(13-15-30)28(32)29-24-8-4-6-22(17-24)23-7-5-9-25(18-23)33-2/h4-11,16-18,21,31H,3,12-15,19H2,1-2H3,(H,29,32)
InChIKeyZGXOBPFNLFFVPF-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.32
Rot. Bonds8

About 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 167387723) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
PubChem CID167387723
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC Name1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)ccc1O
InChIInChI=1S/C28H32N2O4/c1-3-34-27-16-20(10-11-26(27)31)19-30-14-12-21(13-15-30)28(32)29-24-8-4-6-22(17-24)23-7-5-9-25(18-23)33-2/h4-11,16-18,21,31H,3,12-15,19H2,1-2H3,(H,29,32)
InChIKeyZGXOBPFNLFFVPF-UHFFFAOYSA-N
XLogP5.32
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26321068
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-[3-(3-methoxyphenyl)phenyl]-1-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 25309891
N-cyclopentyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 3645638
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
1-[(3-chlorophenyl)methyl]-N-(3-ethoxyphenyl)piperidine-4-carboxamide
CID 53284530
1-[(3-ethoxyphenyl)methyl]-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 43923221
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-(3-chloro-4-methylphenyl)-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921688
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 17388879
N-[4-(cyanomethyl)phenyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921809
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (CID 167387723) is 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is CCOc1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)ccc1O.
What is the InChIKey of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is ZGXOBPFNLFFVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-34-27-16-20(10-11-26(27)31)19-30-14-12-21(13-15-30)28(32)29-24-8-4-6-22(17-24)23-7-5-9-25(18-23)33-2/h4-11,16-18,21,31H,3,12-15,19H2,1-2H3,(H,29,32).
What are the key properties of 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 460.57 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 167387723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).