N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide

C30H36N2O3 — CID 23108978

IUPACN-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide
SMILESCOc1ccc(CN2CCC(c3ccc(CNC(=O)c4cc(C)cc(C)c4)cc3)CC2)cc1OC
InChIInChI=1S/C30H36N2O3/c1-21-15-22(2)17-27(16-21)30(33)31-19-23-5-8-25(9-6-23)26-11-13-32(14-12-26)20-24-7-10-28(34-3)29(18-24)35-4/h5-10,15-18,26H,11-14,19-20H2,1-4H3,(H,31,33)
InChIKeyWAZRJKVYYKBJRL-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.63
Rot. Bonds8

About N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide

N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide (PubChem CID 23108978) has the molecular formula C30H36N2O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide
PubChem CID23108978
Molecular FormulaC30H36N2O3
Molecular Weight472.63 g/mol
Exact Mass472.27
IUPAC NameN-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide
SMILESCOc1ccc(CN2CCC(c3ccc(CNC(=O)c4cc(C)cc(C)c4)cc3)CC2)cc1OC
InChIInChI=1S/C30H36N2O3/c1-21-15-22(2)17-27(16-21)30(33)31-19-23-5-8-25(9-6-23)26-11-13-32(14-12-26)20-24-7-10-28(34-3)29(18-24)35-4/h5-10,15-18,26H,11-14,19-20H2,1-4H3,(H,31,33)
InChIKeyWAZRJKVYYKBJRL-UHFFFAOYSA-N
XLogP5.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(4-bromo-1-methylpyrrolo[2,3-b]pyridin-2-yl)methyl]piperidin-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 177301535
N-[(3,4-dimethoxyphenyl)methyl]-4-[[[1-[(4-methylphenyl)methyl]piperidin-4-yl]-(2-methylpropanoyl)amino]methyl]benzamide
CID 69243088
4-[[[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoyl]amino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 69240801
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxy-4-propan-2-yloxybenzamide
CID 56552055
N-[[4-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 23108917
4-butoxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-methoxybenzamide
CID 56552080
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 56551947
1-[[3-methoxy-4-(4-methylphenyl)sulfanyloxyphenyl]methyl]-4-phenylpiperidine
CID 145113262
4-[[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-(2,2-dimethylpropanoyl)amino]methyl]-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 69242418
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775352
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 55746600

Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide (CID 23108978) is N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide is COc1ccc(CN2CCC(c3ccc(CNC(=O)c4cc(C)cc(C)c4)cc3)CC2)cc1OC.
What is the InChIKey of N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide?
The InChIKey is WAZRJKVYYKBJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O3/c1-21-15-22(2)17-27(16-21)30(33)31-19-23-5-8-25(9-6-23)26-11-13-32(14-12-26)20-24-7-10-28(34-3)29(18-24)35-4/h5-10,15-18,26H,11-14,19-20H2,1-4H3,(H,31,33).
What are the key properties of N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide?
N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide has a molecular weight of 472.63 g/mol, XLogP of 5.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]phenyl]methyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 23108978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).