3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

C14H18N2O4 — CID 62216281

IUPAC3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H18N2O4/c17-12-3-2-11(9-15-12)14(20)16-7-5-10(6-8-16)1-4-13(18)19/h2-3,9-10H,1,4-8H2,(H,15,17)(H,18,19)
InChIKeyRBSOFBVCJWCKJS-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.09
Rot. Bonds4

About 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid

3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (PubChem CID 62216281) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
PubChem CID62216281
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C14H18N2O4/c17-12-3-2-11(9-15-12)14(20)16-7-5-10(6-8-16)1-4-13(18)19/h2-3,9-10H,1,4-8H2,(H,15,17)(H,18,19)
InChIKeyRBSOFBVCJWCKJS-UHFFFAOYSA-N
XLogP1.09
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
4-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90818078
3-(4-aminobutyl)-4-hydroxy-4-oxo-1-[(6-oxo-1H-pyridin-3-yl)methyl]-1,4lambda5-azaphosphinane-3-carboxylic acid
CID 137441715
1-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 178133453
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylate
CID 3605121
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24695413
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 24710485
(2S)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28182790

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid (CID 62216281) is 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
The InChIKey is RBSOFBVCJWCKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12-3-2-11(9-15-12)14(20)16-7-5-10(6-8-16)1-4-13(18)19/h2-3,9-10H,1,4-8H2,(H,15,17)(H,18,19).
What are the key properties of 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid?
3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 62216281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).