1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

C16H22N2O4 — CID 122121860

IUPAC1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccccc1CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-11-7-13(15(19)20)10-18(9-11)16(21)17-8-12-5-3-4-6-14(12)22-2/h3-6,11,13H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKAYDMEPTGICELJ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.95
Rot. Bonds4

About 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121860) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121860
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCOc1ccccc1CNC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C16H22N2O4/c1-11-7-13(15(19)20)10-18(9-11)16(21)17-8-12-5-3-4-6-14(12)22-2/h3-6,11,13H,7-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyKAYDMEPTGICELJ-UHFFFAOYSA-N
XLogP1.95
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-cyclopentyloxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122322
1-[(2,5-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122072
1-[(2,4-dimethoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122341
5-methyl-1-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122121950
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
1-[(3-methoxy-1-benzofuran-2-yl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123581
5-methyl-1-[[2-(1-methylpyrazol-4-yl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122123294
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
1-(2,6-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117578
1-[(4-methoxy-3-nitrophenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122122368

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122121860) is 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is COc1ccccc1CNC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is KAYDMEPTGICELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-7-13(15(19)20)10-18(9-11)16(21)17-8-12-5-3-4-6-14(12)22-2/h3-6,11,13H,7-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 306.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).