1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid

C21H24N2O4 — CID 42849397

IUPAC1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CC(C(=O)O)CCC2c2cccc(C)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-3-5-15(12-14)19-11-6-16(20(24)25)13-23(19)21(26)22-17-7-9-18(27-2)10-8-17/h3-5,7-10,12,16,19H,6,11,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyKLMTUJIGYOTZHS-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.07
Rot. Bonds4

About 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid

1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid (PubChem CID 42849397) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
PubChem CID42849397
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CC(C(=O)O)CCC2c2cccc(C)c2)cc1
InChIInChI=1S/C21H24N2O4/c1-14-4-3-5-15(12-14)19-11-6-16(20(24)25)13-23(19)21(26)22-17-7-9-18(27-2)10-8-17/h3-5,7-10,12,16,19H,6,11,13H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyKLMTUJIGYOTZHS-UHFFFAOYSA-N
XLogP4.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
(2R)-N-(3,5-dimethoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 51855985
N-(3-methoxyphenyl)-2-(3-methylphenyl)azepane-1-carboxamide
CID 53013061
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
(2S)-2-(3-methylphenyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51856238
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
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 42866482
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 42869311
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 50747165

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid (CID 42849397) is 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid is COc1ccc(NC(=O)N2CC(C(=O)O)CCC2c2cccc(C)c2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid?
The InChIKey is KLMTUJIGYOTZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-4-3-5-15(12-14)19-11-6-16(20(24)25)13-23(19)21(26)22-17-7-9-18(27-2)10-8-17/h3-5,7-10,12,16,19H,6,11,13H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid?
1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid has a molecular weight of 368.43 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 42849397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).