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

C33H34N2O4 — CID 118063180

IUPAC4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)cc1
InChIInChI=1S/C33H34N2O4/c1-35-20-18-30(19-21-35)39-29-15-6-24(7-16-29)23-4-11-27(12-5-23)34-33(36)26-10-17-32(38-3)31(22-26)25-8-13-28(37-2)14-9-25/h4-17,22,30H,18-21H2,1-3H3,(H,34,36)
InChIKeyRRSWBKBTNGRXIY-UHFFFAOYSA-N
MW522.65 g/mol
LogP6.76
Rot. Bonds8

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

4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063180) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063180
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)cc1
InChIInChI=1S/C33H34N2O4/c1-35-20-18-30(19-21-35)39-29-15-6-24(7-16-29)23-4-11-27(12-5-23)34-33(36)26-10-17-32(38-3)31(22-26)25-8-13-28(37-2)14-9-25/h4-17,22,30H,18-21H2,1-3H3,(H,34,36)
InChIKeyRRSWBKBTNGRXIY-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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063180) is 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1ccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4)cc3)ccc2OC)cc1.
What is the InChIKey of 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is RRSWBKBTNGRXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-35-20-18-30(19-21-35)39-29-15-6-24(7-16-29)23-4-11-27(12-5-23)34-33(36)26-10-17-32(38-3)31(22-26)25-8-13-28(37-2)14-9-25/h4-17,22,30H,18-21H2,1-3H3,(H,34,36).
What are the key properties of 4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
4-methoxy-3-(4-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-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).