1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one

C13H21NO2 — CID 116563781

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1=COCCC1
InChIInChI=1S/C13H21NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h10,12,14H,1-9H2
InChIKeyQLZIZNRYUUITQG-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.17
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one (PubChem CID 116563781) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one
PubChem CID116563781
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one
SMILESO=C(CCC1CCCCN1)C1=COCCC1
InChIInChI=1S/C13H21NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h10,12,14H,1-9H2
InChIKeyQLZIZNRYUUITQG-UHFFFAOYSA-N
XLogP2.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563575
1-(3-bromothiophen-2-yl)-3-piperidin-2-ylpropan-1-one
CID 116563615
3-(azepan-2-yl)propanoic acid
CID 69475849
1-(4-ethylphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563790
oxan-4-yl 3-piperidin-2-ylpropanoate
CID 62217058
1-naphthalen-1-yl-3-piperidin-2-ylpropan-1-one
CID 116563794
cyclopentyl 3-piperidin-2-ylpropanoate
CID 62215567
1-(oxan-3-yl)-3-piperidin-2-ylpropan-1-one
CID 107138340
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-piperidin-2-ylpropan-1-one
CID 62211780
1-(2,4-dimethoxyphenyl)-3-piperidin-2-ylpropan-1-one
CID 116563552
1-(1-ethylpyrazol-4-yl)-3-piperidin-2-ylpropan-1-one
CID 116563541
N-methyl-3-[(2S)-piperidin-2-yl]propanamide
CID 94374343

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one (CID 116563781) is 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one is O=C(CCC1CCCCN1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one?
The InChIKey is QLZIZNRYUUITQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c15-13(11-4-3-9-16-10-11)7-6-12-5-1-2-8-14-12/h10,12,14H,1-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-3-piperidin-2-ylpropan-1-one is sourced from PubChem (CID 116563781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).