1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

C15H20N2O4 — CID 63123407

IUPAC1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(13(18)19)7-9-17(10-8-15)14(20)16-11-5-3-4-6-12(11)21-2/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYBYZWWJGXSGRE-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.41
Rot. Bonds3

About 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid

1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63123407) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63123407
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCOc1ccccc1NC(=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C15H20N2O4/c1-15(13(18)19)7-9-17(10-8-15)14(20)16-11-5-3-4-6-12(11)21-2/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFYBYZWWJGXSGRE-UHFFFAOYSA-N
XLogP2.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-benzyl-1-N-(2-methoxyphenyl)-4-methylpiperidine-1,4-dicarboxamide
CID 52998868
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
4-(2-hydroxyethyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 43393054
3-methyl-1-[(2-methylsulfanylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 107642319
1-[(4-methoxy-2,5-dimethylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122091702
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
N-(2-methoxyphenyl)-4-[2-(2-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109273
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
1-[[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122094681
2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83058197
N-(2-methoxyphenyl)-2-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]-2,8-diazaspiro[4.5]decane-8-carboxamide
CID 74224172

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 63123407) is 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is COc1ccccc1NC(=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is FYBYZWWJGXSGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(13(18)19)7-9-17(10-8-15)14(20)16-11-5-3-4-6-12(11)21-2/h3-6H,7-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63123407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).