3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one

C13H26N2O2 — CID 113260256

IUPAC3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCOCC(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-11-12(2)14-8-7-13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyMKODUOYGLZOKPI-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one

3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 113260256) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID113260256
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCCOCC(C)NCCC(=O)N1CCCCC1
InChIInChI=1S/C13H26N2O2/c1-3-17-11-12(2)14-8-7-13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3
InChIKeyMKODUOYGLZOKPI-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hex-5-en-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 104581836
3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
N,N-diethyl-2-[(3-oxo-3-piperidin-1-ylpropyl)amino]propanamide
CID 115588925
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 86794928
tert-butyl N-[2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propyl]carbamate
CID 103387449
3-(1-cyclopropylethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203458
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 113264108
3-(butan-2-ylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 109013070
2-amino-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 115738343
3-[(1-methoxy-4,4-dimethylpentan-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 154745080

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one (CID 113260256) is 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one is CCOCC(C)NCCC(=O)N1CCCCC1.
What is the InChIKey of 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MKODUOYGLZOKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-17-11-12(2)14-8-7-13(16)15-9-5-4-6-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one?
3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxypropan-2-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 113260256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).