N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide

C29H34N2O2 — CID 46055099

IUPACN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
SMILESCOc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C29H34N2O2/c1-21-8-12-25(13-9-21)29(32)31(27-6-5-7-28(19-27)33-4)26-14-16-30(17-15-26)20-24-11-10-22(2)23(3)18-24/h5-13,18-19,26H,14-17,20H2,1-4H3
InChIKeyCMJPEHBBICHYJI-UHFFFAOYSA-N
MW442.60 g/mol
LogP5.93
Rot. Bonds6

About N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide (PubChem CID 46055099) has the molecular formula C29H34N2O2 and a molecular weight of 442.60 g/mol. Its IUPAC name is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
PubChem CID46055099
Molecular FormulaC29H34N2O2
Molecular Weight442.60 g/mol
Exact Mass442.26
IUPAC NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
SMILESCOc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C29H34N2O2/c1-21-8-12-25(13-9-21)29(32)31(27-6-5-7-28(19-27)33-4)26-14-16-30(17-15-26)20-24-11-10-22(2)23(3)18-24/h5-13,18-19,26H,14-17,20H2,1-4H3
InChIKeyCMJPEHBBICHYJI-UHFFFAOYSA-N
XLogP5.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.60
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 46161815
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 46054408
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-4-methylbenzamide
CID 46054532
N-(3,4-dimethoxyphenyl)-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbenzamide
CID 46054860
4-methyl-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzamide
CID 42853358
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-methyl-N-phenylbenzamide
CID 46054292
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(4-methylphenyl)benzamide
CID 42858229
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzamide
CID 46054625
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide?
The IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide (CID 46055099) is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide.
What is the SMILES notation for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide?
The canonical SMILES for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide is COc1cccc(N(C(=O)c2ccc(C)cc2)C2CCN(Cc3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide?
The InChIKey is CMJPEHBBICHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O2/c1-21-8-12-25(13-9-21)29(32)31(27-6-5-7-28(19-27)33-4)26-14-16-30(17-15-26)20-24-11-10-22(2)23(3)18-24/h5-13,18-19,26H,14-17,20H2,1-4H3.
What are the key properties of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide?
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide has a molecular weight of 442.60 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide is sourced from PubChem (CID 46055099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).