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

C33H34N2O4 — CID 91758309

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C33H34N2O4/c1-35-19-17-29(18-20-35)39-28-14-9-24(10-15-28)23-7-12-27(13-8-23)34-33(36)26-11-16-32(38-3)31(22-26)25-5-4-6-30(21-25)37-2/h4-16,21-22,29H,17-20H2,1-3H3,(H,34,36)
InChIKeyPRHXJKZSDHHJAR-UHFFFAOYSA-N
MW522.65 g/mol
LogP6.76
Rot. Bonds8

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

4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 91758309) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID91758309
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1
InChIInChI=1S/C33H34N2O4/c1-35-19-17-29(18-20-35)39-28-14-9-24(10-15-28)23-7-12-27(13-8-23)34-33(36)26-11-16-32(38-3)31(22-26)25-5-4-6-30(21-25)37-2/h4-16,21-22,29H,17-20H2,1-3H3,(H,34,36)
InChIKeyPRHXJKZSDHHJAR-UHFFFAOYSA-N
XLogP6.76
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-{[methyl({3-[(9-oxo-9H-xanthen-3-yl)oxy]propyl})amino]methyl}phenyl N-phenylcarbamate hydrochloride
CID 11800701
(2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid
CID 56929502
N-{4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl}-4-[(1-methylpiperidin-4-yl)oxy]-3-(trifluoromethyl)benzamide (2)
CID 118009696
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046526
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
3-[(4-methoxyphenoxy)methyl]-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 998488
3-[(4-ethoxyphenoxy)methyl]-N-[4-(1-piperidinylmethyl)phenyl]benzamide
CID 998650
[4-[[7-(4-Ethoxyphenyl)-2,3-dihydro-1-benzoxepine-4-carbonyl]amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium iodide
CID 9917628
3-[3-(dimethylamino)propyl]-N-[4-(4-formyl-2-methylphenyl)phenyl]-4-methoxybenzamide
CID 10094227
2-Methoxyethyl 4-[4-[[3-[3-(dimethylamino)propyl]-4-methoxybenzoyl]amino]phenyl]-3-methylbenzoate
CID 10346019
1-[4-[N-[6-(4-methylphenyl)-2H-1-benzopyran-3-carbonyl]-amino]benzyl]-1-methylpiperidinium iodide
CID 10555236
n-[2-Methyl-5-(3-morpholinobenzamido)phenyl]-4-benzyloxybenzamide
CID 22291046

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 91758309) is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is PRHXJKZSDHHJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-35-19-17-29(18-20-35)39-28-14-9-24(10-15-28)23-7-12-27(13-8-23)34-33(36)26-11-16-32(38-3)31(22-26)25-5-4-6-30(21-25)37-2/h4-16,21-22,29H,17-20H2,1-3H3,(H,34,36).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 522.65 g/mol, XLogP of 6.76, 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-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 91758309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).