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

C29H34N2O5 — CID 46054558

IUPACN-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C29H34N2O5/c1-33-25-12-10-22(27(19-25)35-3)20-30-16-14-23(15-17-30)31(29(32)21-8-6-5-7-9-21)24-11-13-26(34-2)28(18-24)36-4/h5-13,18-19,23H,14-17,20H2,1-4H3
InChIKeyRUFAHRNQTNEOJX-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.03
Rot. Bonds9

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

N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide (PubChem CID 46054558) has the molecular formula C29H34N2O5 and a molecular weight of 490.60 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
PubChem CID46054558
Molecular FormulaC29H34N2O5
Molecular Weight490.60 g/mol
Exact Mass490.25
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
SMILESCOc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1
InChIInChI=1S/C29H34N2O5/c1-33-25-12-10-22(27(19-25)35-3)20-30-16-14-23(15-17-30)31(29(32)21-8-6-5-7-9-21)24-11-13-26(34-2)28(18-24)36-4/h5-13,18-19,23H,14-17,20H2,1-4H3
InChIKeyRUFAHRNQTNEOJX-UHFFFAOYSA-N
XLogP5.03
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylacetamide
CID 91635293
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-(4-ethylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46052058
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42858221
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 46054716
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-phenylthiophene-2-carboxamide
CID 42858031

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide (CID 46054558) is N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide is COc1ccc(CN2CCC(N(C(=O)c3ccccc3)c3ccc(OC)c(OC)c3)CC2)c(OC)c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide?
The InChIKey is RUFAHRNQTNEOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O5/c1-33-25-12-10-22(27(19-25)35-3)20-30-16-14-23(15-17-30)31(29(32)21-8-6-5-7-9-21)24-11-13-26(34-2)28(18-24)36-4/h5-13,18-19,23H,14-17,20H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide?
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide has a molecular weight of 490.60 g/mol, XLogP of 5.03, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46054558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).