1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

C13H18N2O — CID 110254207

IUPAC1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)15-8-4-5-12(10-15)9-13-6-2-3-7-14-13/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyNGSONRDBGHVBSG-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.88
Rot. Bonds2

About 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone

1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 110254207) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
PubChem CID110254207
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccccn2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)15-8-4-5-12(10-15)9-13-6-2-3-7-14-13/h2-3,6-7,12H,4-5,8-10H2,1H3
InChIKeyNGSONRDBGHVBSG-UHFFFAOYSA-N
XLogP1.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(4-methoxyphenoxy)-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 125014143
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone (CID 110254207) is 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2ccccn2)C1.
What is the InChIKey of 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is NGSONRDBGHVBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)15-8-4-5-12(10-15)9-13-6-2-3-7-14-13/h2-3,6-7,12H,4-5,8-10H2,1H3.
What are the key properties of 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone?
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 218.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110254207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).