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

C13H18N2O2 — CID 97165742

IUPAC2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
SMILESO=C(COC[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C13H18N2O2/c16-13(12-5-1-2-7-15-12)10-17-9-11-4-3-6-14-8-11/h1-2,5,7,11,14H,3-4,6,8-10H2/t11-/m0/s1
InChIKeyDVONHUQFFGFOIY-NSHDSACASA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds5

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

2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone (PubChem CID 97165742) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
PubChem CID97165742
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
SMILESO=C(COC[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C13H18N2O2/c16-13(12-5-1-2-7-15-12)10-17-9-11-4-3-6-14-8-11/h1-2,5,7,11,14H,3-4,6,8-10H2/t11-/m0/s1
InChIKeyDVONHUQFFGFOIY-NSHDSACASA-N
XLogP1.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
2-(piperidin-3-ylmethoxy)-1-(1,3-thiazol-2-yl)ethanone
CID 71645242
1-pyrazin-2-yl-2-[[(3S)-pyrrolidin-3-yl]methoxy]ethanone
CID 97165756
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71644996
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
2-piperidin-4-yloxy-1-pyridin-2-ylethanone
CID 71645202
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
6-(piperidin-3-ylmethoxy)pyridine-2-carboxamide
CID 64589412
[(3S)-piperidin-3-yl]methyl 4-chloropyridine-2-carboxylate
CID 86319363
2-(piperidin-3-ylmethoxy)pyridine-3-carboxamide
CID 55065117

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone (CID 97165742) is 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone is O=C(COC[C@H]1CCCNC1)c1ccccn1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone?
The InChIKey is DVONHUQFFGFOIY-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(12-5-1-2-7-15-12)10-17-9-11-4-3-6-14-8-11/h1-2,5,7,11,14H,3-4,6,8-10H2/t11-/m0/s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone?
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone has a molecular weight of 234.30 g/mol, XLogP of 1.28, 5 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]methoxy]-1-pyridin-2-ylethanone is sourced from PubChem (CID 97165742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).