1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one

C15H22N2O — CID 3046833

IUPAC1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-15(18)17-11-5-4-8-14(17)13-7-6-10-16-12-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyAAKRGJXYEAZMCE-AWEZNQCLSA-N
MW246.35 g/mol
LogP3.33
Rot. Bonds4

About 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one

1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one (PubChem CID 3046833) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
PubChem CID3046833
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C15H22N2O/c1-2-3-9-15(18)17-11-5-4-8-14(17)13-7-6-10-16-12-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3/t14-/m0/s1
InChIKeyAAKRGJXYEAZMCE-AWEZNQCLSA-N
XLogP3.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
6-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)octan-1-one
CID 154735172
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
4-(propan-2-ylamino)-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 60850960
4-hydroxy-1-(2-pyridin-3-ylpyrrolidin-1-yl)pentan-1-one
CID 14233094
5-(dithiolan-3-yl)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 102564574
3-(oxazinan-2-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 47000546
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
2-[4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butyl]-3H-isoindol-1-one
CID 162873418

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one (CID 3046833) is 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one?
The InChIKey is AAKRGJXYEAZMCE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-9-15(18)17-11-5-4-8-14(17)13-7-6-10-16-12-13/h6-7,10,12,14H,2-5,8-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one?
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 3046833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).