4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

C27H30N2O3 — CID 46047925

IUPAC4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-13-11-22(12-14-25)27(30)29(23-8-4-3-5-9-23)24-15-17-28(18-16-24)20-21-7-6-10-26(19-21)32-2/h3-14,19,24H,15-18,20H2,1-2H3
InChIKeyGBWQAFPZTYCIOC-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.02
Rot. Bonds7

About 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide

4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (PubChem CID 46047925) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
PubChem CID46047925
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1
InChIInChI=1S/C27H30N2O3/c1-31-25-13-11-22(12-14-25)27(30)29(23-8-4-3-5-9-23)24-15-17-28(18-16-24)20-21-7-6-10-26(19-21)32-2/h3-14,19,24H,15-18,20H2,1-2H3
InChIKeyGBWQAFPZTYCIOC-UHFFFAOYSA-N
XLogP5.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The IUPAC name of 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide (CID 46047925) is 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide.
What is the SMILES notation for 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The canonical SMILES for 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
The InChIKey is GBWQAFPZTYCIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-31-25-13-11-22(12-14-25)27(30)29(23-8-4-3-5-9-23)24-15-17-28(18-16-24)20-21-7-6-10-26(19-21)32-2/h3-14,19,24H,15-18,20H2,1-2H3.
What are the key properties of 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide?
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide has a molecular weight of 430.55 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide is sourced from PubChem (CID 46047925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).