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

C32H32N2O4 — CID 118063245

IUPAC3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccc(O)cc1
InChIInChI=1S/C32H32N2O4/c1-34-19-17-29(18-20-34)38-28-14-7-23(8-15-28)22-3-10-26(11-4-22)33-32(36)25-9-16-31(37-2)30(21-25)24-5-12-27(35)13-6-24/h3-16,21,29,35H,17-20H2,1-2H3,(H,33,36)
InChIKeyKAFWRFURHZENFD-UHFFFAOYSA-N
MW508.62 g/mol
LogP6.46
Rot. Bonds7

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

3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (PubChem CID 118063245) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
PubChem CID118063245
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccc(O)cc1
InChIInChI=1S/C32H32N2O4/c1-34-19-17-29(18-20-34)38-28-14-7-23(8-15-28)22-3-10-26(11-4-22)33-32(36)25-9-16-31(37-2)30(21-25)24-5-12-27(35)13-6-24/h3-16,21,29,35H,17-20H2,1-2H3,(H,33,36)
InChIKeyKAFWRFURHZENFD-UHFFFAOYSA-N
XLogP6.46
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid
CID 56929502
N-[5-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046526
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]-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
(2R)-2-[[3-[[[4-(8-azabicyclo[3.2.1]octan-8-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 102313442
(2R)-2-[[3-[[[4-(azocan-1-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 102313443
(2R)-2-benzyl-3-[4-propoxy-3-[[[4-(3,3,5,5-tetramethylpiperidin-1-yl)benzoyl]amino]methyl]phenyl]propanoic acid
CID 118708440
(2R)-2-[[3-[[[4-(9-azabicyclo[3.3.1]nonan-9-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 118708441
(2R)-2-[[3-[[[4-(3-azabicyclo[3.2.1]octan-3-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 118708442
(2R)-2-[[3-[[[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 118708443
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The IUPAC name of 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide (CID 118063245) is 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
The InChIKey is KAFWRFURHZENFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-34-19-17-29(18-20-34)38-28-14-7-23(8-15-28)22-3-10-26(11-4-22)33-32(36)25-9-16-31(37-2)30(21-25)24-5-12-27(35)13-6-24/h3-16,21,29,35H,17-20H2,1-2H3,(H,33,36).
What are the key properties of 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide?
3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide has a molecular weight of 508.62 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]benzamide is sourced from PubChem (CID 118063245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).