1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide

C23H29N3O3 — CID 42849629

IUPAC1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1cccc(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-24-23(28)26-15-18(8-13-21(26)17-7-5-6-16(2)14-17)22(27)25-19-9-11-20(29-3)12-10-19/h5-7,9-12,14,18,21H,4,8,13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyMXAGPMQLHDMGML-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.12
Rot. Bonds5

About 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide

1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 42849629) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID42849629
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1cccc(C)c1
InChIInChI=1S/C23H29N3O3/c1-4-24-23(28)26-15-18(8-13-21(26)17-7-5-6-16(2)14-17)22(27)25-19-9-11-20(29-3)12-10-19/h5-7,9-12,14,18,21H,4,8,13,15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyMXAGPMQLHDMGML-UHFFFAOYSA-N
XLogP4.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 42866482
1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
CID 42849397
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
3-N-benzyl-1-N-ethyl-3-N-methyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849636
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 42849629) is 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1cccc(C)c1.
What is the InChIKey of 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is MXAGPMQLHDMGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-24-23(28)26-15-18(8-13-21(26)17-7-5-6-16(2)14-17)22(27)25-19-9-11-20(29-3)12-10-19/h5-7,9-12,14,18,21H,4,8,13,15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide?
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42849629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).