2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid

C14H18N2O3 — CID 67642221

IUPAC2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccncc1)C1CCCNC1=O
InChIInChI=1S/C14H18N2O3/c17-13-11(2-1-7-16-13)12(14(18)19)4-3-10-5-8-15-9-6-10/h5-6,8-9,11-12H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeyHYCJNLOPLSNVOH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.24
Rot. Bonds5

About 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid

2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid (PubChem CID 67642221) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid
PubChem CID67642221
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid
SMILESO=C(O)C(CCc1ccncc1)C1CCCNC1=O
InChIInChI=1S/C14H18N2O3/c17-13-11(2-1-7-16-13)12(14(18)19)4-3-10-5-8-15-9-6-10/h5-6,8-9,11-12H,1-4,7H2,(H,16,17)(H,18,19)
InChIKeyHYCJNLOPLSNVOH-UHFFFAOYSA-N
XLogP1.24
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-pyridin-4-ylpropanoic acid
CID 83829716
2-oxo-N-pyridin-4-ylpiperidine-3-carboxamide
CID 3137671
3-(2-phenylethyl)piperidin-2-one
CID 10798202
1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
1-cyclobutyl-3-pyridin-4-ylpropan-1-amine
CID 105187569
3-pentan-2-ylpiperidin-2-one
CID 107889853
2-acetamido-4-pyridin-4-ylbutanoic acid
CID 18975889
(2R)-2-[(2,2-diphenylacetyl)amino]-4-pyridin-4-ylbutanoic acid
CID 70278068
2-(4-chlorophenyl)-4-pyridin-4-ylbutanoic acid
CID 79019511
14-(cyclohexanecarbonyl)-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 156612085
14-(1-acetylpiperidin-4-yl)-2-(pyridin-4-ylmethyl)-2,9,14-triazabicyclo[9.4.0]pentadecan-10-one
CID 156612077
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]acetic acid
CID 61372298

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid (CID 67642221) is 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid is O=C(O)C(CCc1ccncc1)C1CCCNC1=O.
What is the InChIKey of 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid?
The InChIKey is HYCJNLOPLSNVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13-11(2-1-7-16-13)12(14(18)19)4-3-10-5-8-15-9-6-10/h5-6,8-9,11-12H,1-4,7H2,(H,16,17)(H,18,19).
What are the key properties of 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid?
2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-3-yl)-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 67642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).