3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide

C29H33N3O4 — CID 42868486

IUPAC3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(C)c(C)c3)C2)c(OC)c1
InChIInChI=1S/C29H33N3O4/c1-19-10-11-24(14-20(19)2)30-29(34)32-17-22(21-8-6-5-7-9-21)15-23(18-32)28(33)31-26-13-12-25(35-3)16-27(26)36-4/h5-14,16,22-23H,15,17-18H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyMAPVQMHEVLNLHM-UHFFFAOYSA-N
MW487.60 g/mol
LogP5.60
Rot. Bonds6

About 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide

3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42868486) has the molecular formula C29H33N3O4 and a molecular weight of 487.60 g/mol. Its IUPAC name is 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide
PubChem CID42868486
Molecular FormulaC29H33N3O4
Molecular Weight487.60 g/mol
Exact Mass487.25
IUPAC Name3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(C)c(C)c3)C2)c(OC)c1
InChIInChI=1S/C29H33N3O4/c1-19-10-11-24(14-20(19)2)30-29(34)32-17-22(21-8-6-5-7-9-21)15-23(18-32)28(33)31-26-13-12-25(35-3)16-27(26)36-4/h5-14,16,22-23H,15,17-18H2,1-4H3,(H,30,34)(H,31,33)
InChIKeyMAPVQMHEVLNLHM-UHFFFAOYSA-N
XLogP5.60
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-Dimethoxyphenyl)-3,4-dihydro-2(1H)-isoquinolinecarboxamide
CID 4988046
N3-(2,3-dimethylphenyl)-N1-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 655920
1-(1-Benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)urea
CID 6465840
N-(2,4-dimethoxyphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497513
N-(4-{2-[(2,4-dimethoxyphenyl)amino]-2-oxoethyl}phenyl)-2,3,4,5-tetrahydro-1H-1-benzazepine-1-carboxamide
CID 16026089
N-[[2-(2,6-dimethoxyphenyl)phenyl]methyl]-5-[4-(2-methoxyphenyl)piperazin-1-yl]pentanamide
CID 72547878
N-(2,4-dimethoxyphenyl)-2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)acetamide
CID 16229721
N-[4-[3-(2,4-dimethoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 4789683
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
N-[4-[(2,4-dimethoxyphenyl)carbamoyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509757
Cambridge id 7025595
CID 1075428
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-N-(2,4-dimethoxy-phenyl)-benzamide
CID 1095178

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide (CID 42868486) is 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)C2CC(c3ccccc3)CN(C(=O)Nc3ccc(C)c(C)c3)C2)c(OC)c1.
What is the InChIKey of 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is MAPVQMHEVLNLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O4/c1-19-10-11-24(14-20(19)2)30-29(34)32-17-22(21-8-6-5-7-9-21)15-23(18-32)28(33)31-26-13-12-25(35-3)16-27(26)36-4/h5-14,16,22-23H,15,17-18H2,1-4H3,(H,30,34)(H,31,33).
What are the key properties of 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide?
3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 487.60 g/mol, XLogP of 5.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)-5-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42868486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).