3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid

C14H20N2O3 — CID 82907174

IUPAC3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H20N2O3/c1-14(13(18)19)6-4-7-15(11-14)9-10-16-8-3-2-5-12(16)17/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,19)
InChIKeyDYAKKYJGWQPZAF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.03
Rot. Bonds4

About 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid

3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid (PubChem CID 82907174) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid
PubChem CID82907174
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(CCn2ccccc2=O)C1
InChIInChI=1S/C14H20N2O3/c1-14(13(18)19)6-4-7-15(11-14)9-10-16-8-3-2-5-12(16)17/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,19)
InChIKeyDYAKKYJGWQPZAF-UHFFFAOYSA-N
XLogP1.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)ethyl]pyridin-2-one
CID 113343955
1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137295
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
1-[2-(2-fluoroanilino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 63136985
1-[2-[(1-methylcyclopentyl)amino]ethyl]pyridin-2-one
CID 82897665
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
1-[(2-cyanophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63136876
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
CID 82907199
1-[2-(3,3-diethylpiperazin-1-yl)ethyl]pyridin-2-one
CID 82907965

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid (CID 82907174) is 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(CCn2ccccc2=O)C1.
What is the InChIKey of 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is DYAKKYJGWQPZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(13(18)19)6-4-7-15(11-14)9-10-16-8-3-2-5-12(16)17/h2-3,5,8H,4,6-7,9-11H2,1H3,(H,18,19).
What are the key properties of 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 82907174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).