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

C32H32N2O3 — CID 118063356

IUPAC4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C32H32N2O3/c1-34-20-18-29(19-21-34)37-28-15-10-24(11-16-28)23-8-13-27(14-9-23)33-32(35)26-12-17-31(36-2)30(22-26)25-6-4-3-5-7-25/h3-17,22,29H,18-21H2,1-2H3,(H,33,35)
InChIKeyFHUIFTQCAAVUNM-UHFFFAOYSA-N
MW492.62 g/mol
LogP6.75
Rot. Bonds7

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

4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide (PubChem CID 118063356) has the molecular formula C32H32N2O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
PubChem CID118063356
Molecular FormulaC32H32N2O3
Molecular Weight492.62 g/mol
Exact Mass492.24
IUPAC Name4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccccc1
InChIInChI=1S/C32H32N2O3/c1-34-20-18-29(19-21-34)37-28-15-10-24(11-16-28)23-8-13-27(14-9-23)33-32(35)26-12-17-31(36-2)30(22-26)25-6-4-3-5-7-25/h3-17,22,29H,18-21H2,1-2H3,(H,33,35)
InChIKeyFHUIFTQCAAVUNM-UHFFFAOYSA-N
XLogP6.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.62
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Encainide
CID 48041
(2r)-2-Benzyl-3-[3-({[4-(Piperidin-1-Yl)benzoyl]amino}methyl)-4-Propoxyphenyl]propanoic Acid
CID 56929502
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2-dimethyl-7-(4-piperazin-1-ylphenyl)-3H-1-benzofuran-5-carboxamide
CID 118096796
4-acetyl-N-[4-[2-(8-cyano-3,3a,4,9b-tetrahydro-1H-chromeno[3,4-c]pyrrol-2-yl)ethyl]phenyl]benzamide
CID 44305348
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-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 127046525
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
(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-(2-azatricyclo[3.3.1.13,7]decan-2-yl)benzoyl]amino]methyl]-4-propoxyphenyl]methyl]-3-phenylpropanoic acid
CID 118708443

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide (CID 118063356) is 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide is COc1ccc(C(=O)Nc2ccc(-c3ccc(OC4CCN(C)CC4)cc3)cc2)cc1-c1ccccc1.
What is the InChIKey of 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
The InChIKey is FHUIFTQCAAVUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3/c1-34-20-18-29(19-21-34)37-28-15-10-24(11-16-28)23-8-13-27(14-9-23)33-32(35)26-12-17-31(36-2)30(22-26)25-6-4-3-5-7-25/h3-17,22,29H,18-21H2,1-2H3,(H,33,35).
What are the key properties of 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide?
4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide has a molecular weight of 492.62 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-3-phenylbenzamide is sourced from PubChem (CID 118063356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).