2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone

C12H16N2O2 — CID 71645154

IUPAC2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
SMILESO=C(CO[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-5-1-2-7-14-11)9-16-10-4-3-6-13-8-10/h1-2,5,7,10,13H,3-4,6,8-9H2/t10-/m0/s1
InChIKeyLTKCAMBVWRHUTN-JTQLQIEISA-N
MW220.27 g/mol
LogP1.03
Rot. Bonds4

About 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone

2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone (PubChem CID 71645154) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
PubChem CID71645154
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
SMILESO=C(CO[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C12H16N2O2/c15-12(11-5-1-2-7-14-11)9-16-10-4-3-6-13-8-10/h1-2,5,7,10,13H,3-4,6,8-9H2/t10-/m0/s1
InChIKeyLTKCAMBVWRHUTN-JTQLQIEISA-N
XLogP1.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
2-(piperidin-3-yloxymethyl)pyrimidine
CID 62698252
1-pyrazin-2-yl-2-[(3R)-pyrrolidin-3-yl]oxyethanone;hydrochloride
CID 71645143
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
1-pyrazin-2-yl-2-pyrrolidin-3-yloxyethanone;hydrochloride
CID 71645191
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
1-(3,4-dimethylphenyl)-2-piperidin-3-yloxyethanone
CID 84755326
azetidin-3-yl pyridine-2-carboxylate
CID 130016226
N-[(3R)-pyrrolidin-3-yl]oxypyridine-2-carboxamide
CID 168757336
2-piperidin-3-yloxyacetic acid;hydrochloride
CID 55279062

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone?
The IUPAC name of 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone (CID 71645154) is 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone is O=C(CO[C@H]1CCCNC1)c1ccccn1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone?
The InChIKey is LTKCAMBVWRHUTN-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O2/c15-12(11-5-1-2-7-14-11)9-16-10-4-3-6-13-8-10/h1-2,5,7,10,13H,3-4,6,8-9H2/t10-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone?
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone has a molecular weight of 220.27 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone is sourced from PubChem (CID 71645154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).