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

C33H34N2O5 — CID 134143812

IUPACN-[3-hydroxy-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(O)c3)ccc2OC)c1
InChIInChI=1S/C33H34N2O5/c1-35-17-15-27(16-18-35)40-26-11-7-22(8-12-26)29-13-10-25(21-31(29)36)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-28(19-23)38-2/h4-14,19-21,27,36H,15-18H2,1-3H3,(H,34,37)
InChIKeyCMUZLURZCMQOFZ-UHFFFAOYSA-N
MW538.64 g/mol
LogP6.47
Rot. Bonds8

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

N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (PubChem CID 134143812) has the molecular formula C33H34N2O5 and a molecular weight of 538.64 g/mol. Its IUPAC name is N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide
PubChem CID134143812
Molecular FormulaC33H34N2O5
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC NameN-[3-hydroxy-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(O)c3)ccc2OC)c1
InChIInChI=1S/C33H34N2O5/c1-35-17-15-27(16-18-35)40-26-11-7-22(8-12-26)29-13-10-25(21-31(29)36)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-28(19-23)38-2/h4-14,19-21,27,36H,15-18H2,1-3H3,(H,34,37)
InChIKeyCMUZLURZCMQOFZ-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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Related Compounds

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-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-3-methyl-4-(3-methylphenoxy)benzamide
CID 71573453
N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-4-(3-methylphenoxy)benzamide
CID 71586624
N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-3-methyl-4-phenoxybenzamide
CID 71586727
4-(3,5-dimethylphenoxy)-N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]benzamide
CID 71681351
N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-2-methyl-4-(3-methylphenoxy)benzamide
CID 71681354
3',6-dimethoxy-N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-4-yl)-[1,1'-biphenyl]-3-carboxamide
CID 91758309
4-methoxy-3-(3-methoxyphenyl)-N-[4-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063067
3-(3-chlorophenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063089
4-methoxy-3-(3-methoxyphenyl)-N-[3-methyl-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063092
6-methoxy-N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-4-yl)-3'-nitro-[1,1'-biphenyl]-3-carboxamide
CID 118063176
4-methoxy-3-(4-methoxyphenyl)-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
CID 118063180

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The IUPAC name of N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide (CID 134143812) is N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for N-[3-hydroxy-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(O)c3)ccc2OC)c1.
What is the InChIKey of N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
The InChIKey is CMUZLURZCMQOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O5/c1-35-17-15-27(16-18-35)40-26-11-7-22(8-12-26)29-13-10-25(21-31(29)36)34-33(37)24-9-14-32(39-3)30(20-24)23-5-4-6-28(19-23)38-2/h4-14,19-21,27,36H,15-18H2,1-3H3,(H,34,37).
What are the key properties of N-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide?
N-[3-hydroxy-4-[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-[3-hydroxy-4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-methoxy-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 134143812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).