1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C16H21NO4 — CID 62302595

IUPAC1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccccc1CN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C16H21NO4/c1-10-8-14(18)17(11(2)15(10)16(19)20)9-12-6-4-5-7-13(12)21-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,20)
InChIKeyHGRBFAZRCMWIDX-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.15
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 62302595) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID62302595
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCOc1ccccc1CN1C(=O)CC(C)C(C(=O)O)C1C
InChIInChI=1S/C16H21NO4/c1-10-8-14(18)17(11(2)15(10)16(19)20)9-12-6-4-5-7-13(12)21-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,20)
InChIKeyHGRBFAZRCMWIDX-UHFFFAOYSA-N
XLogP2.15
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 115009462
1-[(2-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
CID 58733507
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
6-amino-1-[(2-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 78236637
5-(hydroxymethyl)-4-[(2-methoxyphenyl)methyl]morpholin-3-one
CID 115102814
2,4-dimethyl-6-oxo-1-(2-piperidin-1-ylpropyl)piperidine-3-carboxylic acid
CID 62302255
(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
1-[2-[cyclopentyl(methyl)amino]ethyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 63316003
2-[(2-methoxyphenyl)methyl-[1-(2-methoxyphenyl)piperidin-4-yl]amino]acetic acid
CID 110161396
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
3-[(2-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 115071395
2,4-dimethyl-6-oxo-1-(3-sulfamoylpropyl)piperidine-3-carboxylic acid
CID 62302875

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 62302595) is 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is COc1ccccc1CN1C(=O)CC(C)C(C(=O)O)C1C.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is HGRBFAZRCMWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10-8-14(18)17(11(2)15(10)16(19)20)9-12-6-4-5-7-13(12)21-3/h4-7,10-11,15H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 62302595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).