4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride

C14H19ClN2O3 — CID 52993705

IUPAC4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C14H18N2O3.ClH/c17-13(6-7-14(18)19)16-9-2-1-5-12(16)11-4-3-8-15-10-11;/h3-4,8,10,12H,1-2,5-7,9H2,(H,18,19);1H
InChIKeyGRPUBLQWYRZBIB-UHFFFAOYSA-N
MW298.77 g/mol
LogP2.42
Rot. Bonds4

About 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride

4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride (PubChem CID 52993705) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
PubChem CID52993705
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Name4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
SMILESCl.O=C(O)CCC(=O)N1CCCCC1c1cccnc1
InChIInChI=1S/C14H18N2O3.ClH/c17-13(6-7-14(18)19)16-9-2-1-5-12(16)11-4-3-8-15-10-11;/h3-4,8,10,12H,1-2,5-7,9H2,(H,18,19);1H
InChIKeyGRPUBLQWYRZBIB-UHFFFAOYSA-N
XLogP2.42
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
4-oxo-4-(2-pyridin-4-ylpyrrolidin-1-yl)butanoic acid
CID 43578440
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497
3-(2-aminophenyl)-1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120613570
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
3-oxo-3-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]propanenitrile
CID 129491996
3-oxo-3-(2-pyridin-3-ylpyrrolidin-1-yl)propanenitrile
CID 121204678

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride (CID 52993705) is 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride is Cl.O=C(O)CCC(=O)N1CCCCC1c1cccnc1.
What is the InChIKey of 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride?
The InChIKey is GRPUBLQWYRZBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c17-13(6-7-14(18)19)16-9-2-1-5-12(16)11-4-3-8-15-10-11;/h3-4,8,10,12H,1-2,5-7,9H2,(H,18,19);1H.
What are the key properties of 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride?
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 52993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).