2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one

C16H30N2O2 — CID 115709686

IUPAC2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCC(NC1CCN(C(=O)C(C)(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H30N2O2/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyDAVYPRMZKRCUGM-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.04
Rot. Bonds3

About 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one (PubChem CID 115709686) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
PubChem CID115709686
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one
SMILESCC(NC1CCN(C(=O)C(C)(C)C)CC1)C1CCOC1
InChIInChI=1S/C16H30N2O2/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyDAVYPRMZKRCUGM-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

tert-butyl 4-[1-(oxolan-3-yl)ethylamino]piperidine-1-carboxylate
CID 115677343
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
tert-butyl 3-[1-(oxolan-3-yl)ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103786394
tert-butyl (4R)-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821438
tert-butyl (4S)-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]azepane-1-carboxylate
CID 99821439
1-[4-(1-ethylsulfonylpropan-2-ylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 115653928
tert-butyl 3-[1-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103783530
N-cyclohexyl-4-[[(1R)-1-(oxan-4-yl)ethyl]amino]piperidine-1-carboxamide
CID 97070572
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
2-hydroxy-2-methyl-N-[1-(oxolan-3-yl)ethyl]propanamide
CID 103430535

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one (CID 115709686) is 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one is CC(NC1CCN(C(=O)C(C)(C)C)CC1)C1CCOC1.
What is the InChIKey of 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one?
The InChIKey is DAVYPRMZKRCUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12(13-7-10-20-11-13)17-14-5-8-18(9-6-14)15(19)16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[1-(oxolan-3-yl)ethylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 115709686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).