4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide

C25H33N3O5 — CID 53070862

IUPAC4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C25H33N3O5/c1-17-6-8-18(9-7-17)16-26-23(29)25(2)10-12-28(13-11-25)24(30)27-19-14-20(31-3)22(33-5)21(15-19)32-4/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyPFQVXVHIVJAVCH-UHFFFAOYSA-N
MW455.56 g/mol
LogP3.97
Rot. Bonds7

About 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide

4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide (PubChem CID 53070862) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
PubChem CID53070862
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide
SMILESCOc1cc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C25H33N3O5/c1-17-6-8-18(9-7-17)16-26-23(29)25(2)10-12-28(13-11-25)24(30)27-19-14-20(31-3)22(33-5)21(15-19)32-4/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyPFQVXVHIVJAVCH-UHFFFAOYSA-N
XLogP3.97
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(3,4-dimethoxyphenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 52998923
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
1-N-(2-fluorophenyl)-4-methyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 52999016
N-[(4-methoxyphenyl)methyl]-4-methyl-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 52999111
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-[2-(trifluoromethyl)phenyl]piperidine-1,4-dicarboxamide
CID 53070861
4-N-benzyl-1-N-(4-ethylphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998873
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951
4-N-benzyl-1-N-(4-bromophenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998894
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide (CID 53070862) is 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide is COc1cc(NC(=O)N2CCC(C)(C(=O)NCc3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is PFQVXVHIVJAVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-17-6-8-18(9-7-17)16-26-23(29)25(2)10-12-28(13-11-25)24(30)27-19-14-20(31-3)22(33-5)21(15-19)32-4/h6-9,14-15H,10-13,16H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide?
4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 455.56 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-N-[(4-methylphenyl)methyl]-1-N-(3,4,5-trimethoxyphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 53070862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).