1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone

C13H24N2O2 — CID 113415221

IUPAC1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)15-7-3-13(4-8-15)14-6-2-12-5-9-17-10-12/h12-14H,2-10H2,1H3
InChIKeyFCXBOMHZDMKKEB-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone

1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone (PubChem CID 113415221) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
PubChem CID113415221
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCCC2CCOC2)CC1
InChIInChI=1S/C13H24N2O2/c1-11(16)15-7-3-13(4-8-15)14-6-2-12-5-9-17-10-12/h12-14H,2-10H2,1H3
InChIKeyFCXBOMHZDMKKEB-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Methoxymethyl)-2,8-diazaspiro[4.5]decan-2-YL]ethan-1-one
CID 90488135
N-[1-(5-ethoxypentyl)-3-fluoropiperidin-4-yl]-2-methylpropanamide
CID 154670228
Ethyl 4-{[3-(tetrahydrofuran-3-yl)propyl]amino}piperidine-1-carboxylate
CID 50968207
1-(4-(((tetrahydro-2H-pyran-4-yl)amino)methyl)piperidin-1-yl)ethanone
CID 91623581
1-(1-Acetylpiperidin-4-yl)-3-(oxan-4-ylmethyl)urea
CID 25072677
N-[2-(oxan-4-yl)ethyl]acetamide
CID 59696224
N-[2-(oxolan-3-yl)ethyl]acetamide
CID 68212108
N-[1-(oxan-4-yl)ethyl]acetamide
CID 68212110
N-ethyl-2-(oxan-4-yl)-N-[[(3S)-pyrrolidin-3-yl]methyl]acetamide
CID 70322845
N-[1-[2-(oxan-4-yl)ethyl]piperidin-4-yl]formamide
CID 87600169
N-[3-(oxolan-3-yl)propyl]-N-piperidin-4-ylformamide
CID 87600478
N-[3-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]propyl]formamide
CID 87600668

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone (CID 113415221) is 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCCC2CCOC2)CC1.
What is the InChIKey of 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone?
The InChIKey is FCXBOMHZDMKKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11(16)15-7-3-13(4-8-15)14-6-2-12-5-9-17-10-12/h12-14H,2-10H2,1H3.
What are the key properties of 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone?
1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(oxolan-3-yl)ethylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 113415221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).