3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide

C24H31N3O4 — CID 46065367

IUPAC3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2ccccc2)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C24H31N3O4/c1-4-25-24(29)27-15-19(18-10-11-21(30-2)22(13-18)31-3)12-20(16-27)23(28)26-14-17-8-6-5-7-9-17/h5-11,13,19-20H,4,12,14-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyRDJURYHMIPUMQZ-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.16
Rot. Bonds7

About 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide

3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide (PubChem CID 46065367) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
PubChem CID46065367
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)NCc2ccccc2)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C24H31N3O4/c1-4-25-24(29)27-15-19(18-10-11-21(30-2)22(13-18)31-3)12-20(16-27)23(28)26-14-17-8-6-5-7-9-17/h5-11,13,19-20H,4,12,14-16H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyRDJURYHMIPUMQZ-UHFFFAOYSA-N
XLogP3.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
CID 42865225
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42865475
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
(3S,4S)-3-N-benzyl-4-(2,5-dimethoxyphenyl)-1-N-ethylpyrrolidine-1,3-dicarboxamide
CID 93150987
(3R,4S)-3-N-benzyl-4-(2,5-dimethoxyphenyl)-1-N-ethylpyrrolidine-1,3-dicarboxamide
CID 93150989
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 46065117
3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide (CID 46065367) is 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)NCc2ccccc2)CC(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide?
The InChIKey is RDJURYHMIPUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-25-24(29)27-15-19(18-10-11-21(30-2)22(13-18)31-3)12-20(16-27)23(28)26-14-17-8-6-5-7-9-17/h5-11,13,19-20H,4,12,14-16H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide?
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide has a molecular weight of 425.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 46065367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).