4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide

C34H36N2O5 — CID 118063377

IUPAC4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4OC)cc3)ccc2OC)c1
InChIInChI=1S/C34H36N2O5/c1-36-18-16-27(17-19-36)41-29-13-14-30(33(22-29)40-4)23-8-11-26(12-9-23)35-34(37)25-10-15-32(39-3)31(21-25)24-6-5-7-28(20-24)38-2/h5-15,20-22,27H,16-19H2,1-4H3,(H,35,37)
InChIKeyHQZWPGMJSPFHAL-UHFFFAOYSA-N
MW552.67 g/mol
LogP6.77
Rot. Bonds9

About 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide

4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide (PubChem CID 118063377) has the molecular formula C34H36N2O5 and a molecular weight of 552.67 g/mol. Its IUPAC name is 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
PubChem CID118063377
Molecular FormulaC34H36N2O5
Molecular Weight552.67 g/mol
Exact Mass552.26
IUPAC Name4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4OC)cc3)ccc2OC)c1
InChIInChI=1S/C34H36N2O5/c1-36-18-16-27(17-19-36)41-29-13-14-30(33(22-29)40-4)23-8-11-26(12-9-23)35-34(37)25-10-15-32(39-3)31(21-25)24-6-5-7-28(20-24)38-2/h5-15,20-22,27H,16-19H2,1-4H3,(H,35,37)
InChIKeyHQZWPGMJSPFHAL-UHFFFAOYSA-N
XLogP6.77
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.67
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide 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

N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 118063348
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
N-[4-[4-(1-formylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 167018948
N-[4-[4-[1-(2-acetamidoacetyl)piperidin-4-yl]oxy-2-[2-(dimethylamino)ethoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 155206061
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]benzamide
CID 56680135
N-[[4-methoxy-3-(3-methoxyphenyl)phenyl]methyl]-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 123792614
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957
1-[4-methoxy-3-(3-methylphenyl)phenyl]-2-[4-[2-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]ethanone
CID 160781965
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide (CID 118063377) is 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4OC)cc3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide?
The InChIKey is HQZWPGMJSPFHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O5/c1-36-18-16-27(17-19-36)41-29-13-14-30(33(22-29)40-4)23-8-11-26(12-9-23)35-34(37)25-10-15-32(39-3)31(21-25)24-6-5-7-28(20-24)38-2/h5-15,20-22,27H,16-19H2,1-4H3,(H,35,37).
What are the key properties of 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide?
4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide has a molecular weight of 552.67 g/mol, XLogP of 6.77, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 118063377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).