1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 71649612

IUPAC1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-14-11)9-15-7-4-10(5-8-15)13(17)18/h1-3,6,10H,4-5,7-9H2,(H,17,18)
InChIKeySTZUWIRMKOXIHM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.06
Rot. Bonds4

About 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid

1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid (PubChem CID 71649612) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
PubChem CID71649612
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)c1ccccn1
InChIInChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-14-11)9-15-7-4-10(5-8-15)13(17)18/h1-3,6,10H,4-5,7-9H2,(H,17,18)
InChIKeySTZUWIRMKOXIHM-UHFFFAOYSA-N
XLogP1.06
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
oxalic acid;1-pyridin-2-yl-3-pyrrolidin-1-ylpropan-1-one
CID 71442189
2-[(2S)-2-(aminomethyl)piperidin-1-yl]-1-pyridin-2-ylethanone
CID 97165412
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2-[4-(pyridine-2-carbonyl)piperidin-1-yl]ethyl acetate
CID 174725091
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid (CID 71649612) is 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)c1ccccn1.
What is the InChIKey of 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is STZUWIRMKOXIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(11-3-1-2-6-14-11)9-15-7-4-10(5-8-15)13(17)18/h1-3,6,10H,4-5,7-9H2,(H,17,18).
What are the key properties of 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid?
1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-pyridin-2-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 71649612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).