1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one

C13H18N2O — CID 116860071

IUPAC1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
SMILESCC(=O)C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c1-11(16)13(12-6-5-7-14-10-12)15-8-3-2-4-9-15/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyOTSNLSMCOGLKAQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds3

About 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one

1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one (PubChem CID 116860071) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
PubChem CID116860071
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
SMILESCC(=O)C(c1cccnc1)N1CCCCC1
InChIInChI=1S/C13H18N2O/c1-11(16)13(12-6-5-7-14-10-12)15-8-3-2-4-9-15/h5-7,10,13H,2-4,8-9H2,1H3
InChIKeyOTSNLSMCOGLKAQ-UHFFFAOYSA-N
XLogP2.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-piperidin-1-yl-3-pyridin-3-ylpropanoic acid
CID 92864030
3-[(1S,2R)-2-pyridin-3-yl-1,2-dipyrrolidin-1-ylethyl]pyridine
CID 11163071
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129
N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 72939657
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
N-(1,3-dimethylpyrazol-4-yl)-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 134710705
(2R)-2-pyridin-3-yl-1-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 97284567
(2S)-N-methyl-N-[(3-methylsulfanylphenyl)methyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 97187222
1-[3-(4-methylphenoxy)azetidin-1-yl]-2-pyridin-3-yl-2-pyrrolidin-1-ylethanone
CID 118767818
(2R)-2-pyridin-3-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-pyrrolidin-1-ylacetamide
CID 125167230
N-propyl-2-pyridin-3-yl-2-pyrrolidin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 72837629
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one?
The IUPAC name of 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one (CID 116860071) is 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one.
What is the SMILES notation for 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one?
The canonical SMILES for 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one is CC(=O)C(c1cccnc1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one?
The InChIKey is OTSNLSMCOGLKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)13(12-6-5-7-14-10-12)15-8-3-2-4-9-15/h5-7,10,13H,2-4,8-9H2,1H3.
What are the key properties of 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one?
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one is sourced from PubChem (CID 116860071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).