5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

C22H28N2O6 — CID 46065117

IUPAC5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCc2ccco2)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C22H28N2O6/c1-27-14-21(25)24-12-16(15-6-7-19(28-2)20(10-15)29-3)9-17(13-24)22(26)23-11-18-5-4-8-30-18/h4-8,10,16-17H,9,11-14H2,1-3H3,(H,23,26)
InChIKeyZVVBDSIATAQSHJ-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.19
Rot. Bonds8

About 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide

5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 46065117) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID46065117
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCc2ccco2)CC(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C22H28N2O6/c1-27-14-21(25)24-12-16(15-6-7-19(28-2)20(10-15)29-3)9-17(13-24)22(26)23-11-18-5-4-8-30-18/h4-8,10,16-17H,9,11-14H2,1-3H3,(H,23,26)
InChIKeyZVVBDSIATAQSHJ-UHFFFAOYSA-N
XLogP2.19
TPSA90.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 46067504
ethyl (3S)-1-[(3S,5R)-5-(3,4-dimethoxyphenyl)-1-(2-methoxyacetyl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 92995438
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
CID 42865225
(3S,5R)-1-(2-fluorobenzoyl)-N-(furan-2-ylmethyl)-5-phenylpiperidine-3-carboxamide
CID 92994796
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
(3S)-N-(furan-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1249721
trans-(1S,3S)-1-N,3-N-bis(furan-2-ylmethyl)cyclohexane-1,3-dicarboxamide
CID 94798892
4-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106510

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 46065117) is 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CC(C(=O)NCc2ccco2)CC(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is ZVVBDSIATAQSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-27-14-21(25)24-12-16(15-6-7-19(28-2)20(10-15)29-3)9-17(13-24)22(26)23-11-18-5-4-8-30-18/h4-8,10,16-17H,9,11-14H2,1-3H3,(H,23,26).
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide?
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 46065117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).