1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

C15H18N2O4 — CID 107811853

IUPAC1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(c2cccc(C(N)=O)c2)C(C)C1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-8-6-12(18)17(9(2)13(8)15(20)21)11-5-3-4-10(7-11)14(16)19/h3-5,7-9,13H,6H2,1-2H3,(H2,16,19)(H,20,21)
InChIKeyCIWJQJAGPPMKQM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds3

About 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid

1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (PubChem CID 107811853) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
PubChem CID107811853
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
SMILESCC1CC(=O)N(c2cccc(C(N)=O)c2)C(C)C1C(=O)O
InChIInChI=1S/C15H18N2O4/c1-8-6-12(18)17(9(2)13(8)15(20)21)11-5-3-4-10(7-11)14(16)19/h3-5,7-9,13H,6H2,1-2H3,(H2,16,19)(H,20,21)
InChIKeyCIWJQJAGPPMKQM-UHFFFAOYSA-N
XLogP1.25
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6-oxo-1-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 62302716
1-(4-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302419
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 7026148
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960
3-(4-formylpiperidin-1-yl)benzoic acid;4-methoxybenzamide
CID 153403453
3-(3-amino-2-methyl-5-oxopyrrolidin-1-yl)benzonitrile
CID 117022561
1-[(2-methoxyphenyl)methyl]-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302595
3-(3,4-dihydroxy-4-methyl-2-oxopyrrolidin-1-yl)benzamide
CID 78051323
3-(2-phenylcyclopropyl)benzamide
CID 144684573
3-carbamoylbenzoic acid
CID 3014284

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid (CID 107811853) is 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is CC1CC(=O)N(c2cccc(C(N)=O)c2)C(C)C1C(=O)O.
What is the InChIKey of 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
The InChIKey is CIWJQJAGPPMKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-8-6-12(18)17(9(2)13(8)15(20)21)11-5-3-4-10(7-11)14(16)19/h3-5,7-9,13H,6H2,1-2H3,(H2,16,19)(H,20,21).
What are the key properties of 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid?
1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamoylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 107811853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).