1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid

C15H21N3O3 — CID 82021519

IUPAC1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCN(C)CCN1C(=O)CCC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C15H21N3O3/c1-17(2)9-10-18-13(19)7-6-11(15(20)21)14(18)12-5-3-4-8-16-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,21)
InChIKeySDIRZPKKADHQBH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.01
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid

1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid (PubChem CID 82021519) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
PubChem CID82021519
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
SMILESCN(C)CCN1C(=O)CCC(C(=O)O)C1c1ccccn1
InChIInChI=1S/C15H21N3O3/c1-17(2)9-10-18-13(19)7-6-11(15(20)21)14(18)12-5-3-4-8-16-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,21)
InChIKeySDIRZPKKADHQBH-UHFFFAOYSA-N
XLogP1.01
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-6-oxo-2-phenyl-1-(2-pyridin-2-ylethyl)piperidine-3-carboxylic acid
CID 95282069
1-tert-butyl-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 63379159
1-[2-(dimethylamino)ethyl]-3,5-dimethyl-2,6-dipyridin-2-ylpiperidin-4-one
CID 142838497
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
1-[2-(dimethylamino)ethyl]-4-(furan-2-carbonyl)-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 4746575
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
1-tert-butyl-5-oxo-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 63379392
(2R,3R)-2-(2-methylphenyl)-6-oxo-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95291505
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
(2R,3S)-1-(3-imidazol-1-ylpropyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 95311627
2-(6-methyl-3-pyridinyl)-6-oxo-1-propylpiperidine-3-carboxylic acid
CID 104823678
(5R)-1-[2-(dimethylamino)ethyl]-4-[hydroxy(phenyl)methylidene]-5-pyridin-2-ylpyrrolidine-2,3-dione
CID 1290273

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid (CID 82021519) is 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid is CN(C)CCN1C(=O)CCC(C(=O)O)C1c1ccccn1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
The InChIKey is SDIRZPKKADHQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-17(2)9-10-18-13(19)7-6-11(15(20)21)14(18)12-5-3-4-8-16-12/h3-5,8,11,14H,6-7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid?
1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 82021519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).