1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid

C14H18N2O3 — CID 115379106

IUPAC1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
SMILESCN(C)c1cccc(N2CC(C(=O)O)CCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-15(2)11-4-3-5-12(8-11)16-9-10(14(18)19)6-7-13(16)17/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyYCJCBSJIQRDIOJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.58
Rot. Bonds3

About 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid

1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 115379106) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID115379106
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid
SMILESCN(C)c1cccc(N2CC(C(=O)O)CCC2=O)c1
InChIInChI=1S/C14H18N2O3/c1-15(2)11-4-3-5-12(8-11)16-9-10(14(18)19)6-7-13(16)17/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,19)
InChIKeyYCJCBSJIQRDIOJ-UHFFFAOYSA-N
XLogP1.58
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(dimethylamino)phenyl]-4-hydroxypyrrolidin-2-one
CID 115379164
1-(4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62303043
1-(4-chlorophenyl)-6-oxopiperidine-3-carboxylic acid
CID 10422408
1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62302561
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
1-(2,5-difluoro-4-methylphenyl)-6-oxopiperidine-3-carboxylic acid
CID 103587426
(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
1-(3-fluorophenyl)-N-methyl-N-(1-methylimidazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 136554417
1-[2-[[1-(3,4-dimethylphenyl)-6-oxopiperidine-3-carbonyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 167921996
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 34319195

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid (CID 115379106) is 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid is CN(C)c1cccc(N2CC(C(=O)O)CCC2=O)c1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is YCJCBSJIQRDIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(2)11-4-3-5-12(8-11)16-9-10(14(18)19)6-7-13(16)17/h3-5,8,10H,6-7,9H2,1-2H3,(H,18,19).
What are the key properties of 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid?
1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 115379106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).