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

C33H34N2O5 — CID 134156291

IUPACN-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4O)cc3)ccc2OC)c1
InChIInChI=1S/C33H34N2O5/c1-35-17-15-26(16-18-35)40-28-12-13-29(31(36)21-28)22-7-10-25(11-8-22)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-27(19-23)38-2/h4-14,19-21,26,36H,15-18H2,1-3H3,(H,34,37)
InChIKeyVICQLDRLQNXIGT-UHFFFAOYSA-N
MW538.64 g/mol
LogP6.47
Rot. Bonds8

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

N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 134156291) has the molecular formula C33H34N2O5 and a molecular weight of 538.64 g/mol. Its IUPAC name is N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID134156291
Molecular FormulaC33H34N2O5
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC NameN-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4O)cc3)ccc2OC)c1
InChIInChI=1S/C33H34N2O5/c1-35-17-15-26(16-18-35)40-28-12-13-29(31(36)21-28)22-7-10-25(11-8-22)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-27(19-23)38-2/h4-14,19-21,26,36H,15-18H2,1-3H3,(H,34,37)
InChIKeyVICQLDRLQNXIGT-UHFFFAOYSA-N
XLogP6.47
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.64
LogP ≤ 56.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 134156291) is N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cc4O)cc3)ccc2OC)c1.
What is the InChIKey of N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is VICQLDRLQNXIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5/c1-35-17-15-26(16-18-35)40-28-12-13-29(31(36)21-28)22-7-10-25(11-8-22)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-27(19-23)38-2/h4-14,19-21,26,36H,15-18H2,1-3H3,(H,34,37).
What are the key properties of N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide has a molecular weight of 538.64 g/mol, XLogP of 6.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-hydroxy-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 134156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).