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

C35H37N3O5 — CID 118063348

IUPACN-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(NC(C)=O)c3)ccc2OC)c1
InChIInChI=1S/C35H37N3O5/c1-23(39)36-33-22-27(11-14-31(33)24-8-12-28(13-9-24)43-29-16-18-38(2)19-17-29)37-35(40)26-10-15-34(42-4)32(21-26)25-6-5-7-30(20-25)41-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,36,39)(H,37,40)
InChIKeyCQKNQVVAXOPNMY-UHFFFAOYSA-N
MW579.70 g/mol
LogP6.72
Rot. Bonds9

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

N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 118063348) has the molecular formula C35H37N3O5 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID118063348
Molecular FormulaC35H37N3O5
Molecular Weight579.70 g/mol
Exact Mass579.27
IUPAC NameN-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(NC(C)=O)c3)ccc2OC)c1
InChIInChI=1S/C35H37N3O5/c1-23(39)36-33-22-27(11-14-31(33)24-8-12-28(13-9-24)43-29-16-18-38(2)19-17-29)37-35(40)26-10-15-34(42-4)32(21-26)25-6-5-7-30(20-25)41-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,36,39)(H,37,40)
InChIKeyCQKNQVVAXOPNMY-UHFFFAOYSA-N
XLogP6.72
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
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
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
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-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
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
4-[3-(2,5-dimethoxyphenyl)phenoxy]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 24733703

Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 118063348) is N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)c(NC(C)=O)c3)ccc2OC)c1.
What is the InChIKey of N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is CQKNQVVAXOPNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N3O5/c1-23(39)36-33-22-27(11-14-31(33)24-8-12-28(13-9-24)43-29-16-18-38(2)19-17-29)37-35(40)26-10-15-34(42-4)32(21-26)25-6-5-7-30(20-25)41-3/h5-15,20-22,29H,16-19H2,1-4H3,(H,36,39)(H,37,40).
What are the key properties of N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 579.70 g/mol, XLogP of 6.72, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 118063348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).