2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

C13H24N2O2 — CID 43083350

IUPAC2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CCCO1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyVXGLTGKYJXPUQA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one

2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083350) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083350
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCC1CCCO1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyVXGLTGKYJXPUQA-UHFFFAOYSA-N
XLogP1.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-morpholin-4-yl-2-[[(2R)-oxolan-2-yl]methylamino]propan-1-one
CID 1439822
(2R)-1-(azepan-1-yl)-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propan-1-one
CID 95302737
1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 79082174
4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529802
2-[(2-methylcyclopentyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 107418174
4-oxo-2-(oxolan-2-ylmethylamino)-4-piperidin-1-ylbutanenitrile
CID 66431939
2-(7-oxabicyclo[2.2.1]heptan-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 113235526
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
N-(oxolan-2-ylmethyl)propan-2-amine;hydrochloride
CID 172772952
3-(azepan-1-yl)-2,2-dimethyl-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108960062

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one (CID 43083350) is 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is CC(NCC1CCCO1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is VXGLTGKYJXPUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(14-10-12-6-5-9-17-12)13(16)15-7-3-2-4-8-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).