N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide

C28H32N2O4 — CID 46054270

IUPACN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C28H32N2O4/c1-32-25-14-12-21(13-15-25)28(31)30(23-9-5-4-6-10-23)24-16-18-29(19-17-24)20-22-8-7-11-26(33-2)27(22)34-3/h4-15,24H,16-20H2,1-3H3
InChIKeyNAKGDQBADFAZPO-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.02
Rot. Bonds8

About N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide (PubChem CID 46054270) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
PubChem CID46054270
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
SMILESCOc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1
InChIInChI=1S/C28H32N2O4/c1-32-25-14-12-21(13-15-25)28(31)30(23-9-5-4-6-10-23)24-16-18-29(19-17-24)20-22-8-7-11-26(33-2)27(22)34-3/h4-15,24H,16-20H2,1-3H3
InChIKeyNAKGDQBADFAZPO-UHFFFAOYSA-N
XLogP5.02
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
4-methoxy-N-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46158972
N-(4-fluorophenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-4-methoxybenzamide
CID 46047973
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-phenyl-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 46055000
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide?
The IUPAC name of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide (CID 46054270) is N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide.
What is the SMILES notation for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide?
The canonical SMILES for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide is COc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3cccc(OC)c3OC)CC2)cc1.
What is the InChIKey of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide?
The InChIKey is NAKGDQBADFAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-32-25-14-12-21(13-15-25)28(31)30(23-9-5-4-6-10-23)24-16-18-29(19-17-24)20-22-8-7-11-26(33-2)27(22)34-3/h4-15,24H,16-20H2,1-3H3.
What are the key properties of N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide?
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 5.02, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide is sourced from PubChem (CID 46054270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).