2-piperidin-2-yl-1-pyridin-2-ylethanone

C12H16N2O — CID 79539171

IUPAC2-piperidin-2-yl-1-pyridin-2-ylethanone
SMILESO=C(CC1CCCCN1)c1ccccn1
InChIInChI=1S/C12H16N2O/c15-12(11-6-2-4-8-14-11)9-10-5-1-3-7-13-10/h2,4,6,8,10,13H,1,3,5,7,9H2
InChIKeyJMIVHKOMZOCYMJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.80
Rot. Bonds3

About 2-piperidin-2-yl-1-pyridin-2-ylethanone

2-piperidin-2-yl-1-pyridin-2-ylethanone (PubChem CID 79539171) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-piperidin-2-yl-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-piperidin-2-yl-1-pyridin-2-ylethanone
PubChem CID79539171
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-piperidin-2-yl-1-pyridin-2-ylethanone
SMILESO=C(CC1CCCCN1)c1ccccn1
InChIInChI=1S/C12H16N2O/c15-12(11-6-2-4-8-14-11)9-10-5-1-3-7-13-10/h2,4,6,8,10,13H,1,3,5,7,9H2
InChIKeyJMIVHKOMZOCYMJ-UHFFFAOYSA-N
XLogP1.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
2-[2-[(2R)-piperidin-2-yl]ethoxy]-1-pyridin-2-ylethanone
CID 97165766
N-cyclopropyl-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 106627024
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
1-(2-hydroxyphenyl)-2-piperidin-2-ylethanone
CID 84684796
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
1-phenyl-2-pyrrolidin-2-ylethanone
CID 14176779
2-(azepan-2-yl)-1-(2-fluorophenyl)ethanone
CID 79538703
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
2-(1,2-difluoroprop-1-enyl)pyridine;2-propylpiperidine;hydrochloride
CID 158997723
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-yl-1-pyridin-2-ylethanone?
The IUPAC name of 2-piperidin-2-yl-1-pyridin-2-ylethanone (CID 79539171) is 2-piperidin-2-yl-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-piperidin-2-yl-1-pyridin-2-ylethanone?
The canonical SMILES for 2-piperidin-2-yl-1-pyridin-2-ylethanone is O=C(CC1CCCCN1)c1ccccn1.
What is the InChIKey of 2-piperidin-2-yl-1-pyridin-2-ylethanone?
The InChIKey is JMIVHKOMZOCYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-6-2-4-8-14-11)9-10-5-1-3-7-13-10/h2,4,6,8,10,13H,1,3,5,7,9H2.
What are the key properties of 2-piperidin-2-yl-1-pyridin-2-ylethanone?
2-piperidin-2-yl-1-pyridin-2-ylethanone has a molecular weight of 204.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-yl-1-pyridin-2-ylethanone is sourced from PubChem (CID 79539171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).