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

C34H36N2O4 — CID 118063067

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(C)c4)cc3)ccc2OC)c1
InChIInChI=1S/C34H36N2O4/c1-23-20-25(10-14-32(23)40-29-16-18-36(2)19-17-29)24-8-12-28(13-9-24)35-34(37)27-11-15-33(39-4)31(22-27)26-6-5-7-30(21-26)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37)
InChIKeyFQWSEFXURXKVET-UHFFFAOYSA-N
MW536.67 g/mol
LogP7.07
Rot. Bonds8

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

4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063067) has the molecular formula C34H36N2O4 and a molecular weight of 536.67 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063067
Molecular FormulaC34H36N2O4
Molecular Weight536.67 g/mol
Exact Mass536.27
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(C)c4)cc3)ccc2OC)c1
InChIInChI=1S/C34H36N2O4/c1-23-20-25(10-14-32(23)40-29-16-18-36(2)19-17-29)24-8-12-28(13-9-24)35-34(37)27-11-15-33(39-4)31(22-27)26-6-5-7-30(21-26)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37)
InChIKeyFQWSEFXURXKVET-UHFFFAOYSA-N
XLogP7.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.67
LogP ≤ 57.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-[2-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-(3-methoxyphenyl)benzamide
CID 118063377
N-[4-[4-(1-formylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 167018948
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-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]benzamide
CID 56680135
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
1-[4-methoxy-3-(3-methoxyphenyl)phenyl]-2-[4-[3-(3-methylbutyl)-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]ethanone
CID 146967887
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
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-7-(1-methylpiperidin-3-yl)oxy-2-oxochromen-3-yl]benzamide
CID 53259596
N-[4-[4-[1-(2-acetamidoacetyl)piperidin-4-yl]oxy-2-[2-(dimethylamino)ethoxy]phenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 155206061
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
4-chloro-N-[3-[3-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063683

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063067) is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)c(C)c4)cc3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is FQWSEFXURXKVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N2O4/c1-23-20-25(10-14-32(23)40-29-16-18-36(2)19-17-29)24-8-12-28(13-9-24)35-34(37)27-11-15-33(39-4)31(22-27)26-6-5-7-30(21-26)38-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,35,37).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 536.67 g/mol, XLogP of 7.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).