3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one

C14H26N2O — CID 104581836

IUPAC3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESC=CCCC(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-4-8-13(2)15-10-9-14(17)16-11-6-5-7-12-16/h3,13,15H,1,4-12H2,2H3
InChIKeyJWNATDXLCGDOEO-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.33
Rot. Bonds7

About 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one

3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 104581836) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID104581836
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESC=CCCC(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O/c1-3-4-8-13(2)15-10-9-14(17)16-11-6-5-7-12-16/h3,13,15H,1,4-12H2,2H3
InChIKeyJWNATDXLCGDOEO-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethane;1-piperidin-1-ylpent-4-en-1-one
CID 144506821
N-(2-piperidin-1-ylethyl)hex-5-en-2-amine
CID 75525501
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 113260256
3-(hex-5-en-2-ylamino)-N-methylpropanamide
CID 104581947
3-(hept-6-enylamino)-1-piperidin-1-ylpropan-1-one
CID 107007094
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
1-morpholin-4-yl-3-(pentan-2-ylamino)propan-1-one
CID 115713469
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449

Frequently Asked Questions

What is the IUPAC name of 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one (CID 104581836) is 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one is C=CCCC(C)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is JWNATDXLCGDOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-4-8-13(2)15-10-9-14(17)16-11-6-5-7-12-16/h3,13,15H,1,4-12H2,2H3.
What are the key properties of 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one?
3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).