3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one

C13H22N2O2 — CID 113482323

IUPAC3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one
SMILESCC1(N2CCCC(NC3CC3)C2=O)CCOC1
InChIInChI=1S/C13H22N2O2/c1-13(6-8-17-9-13)15-7-2-3-11(12(15)16)14-10-4-5-10/h10-11,14H,2-9H2,1H3
InChIKeyRUDHDZZGRBCWDI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds3

About 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one

3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one (PubChem CID 113482323) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one
PubChem CID113482323
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one
SMILESCC1(N2CCCC(NC3CC3)C2=O)CCOC1
InChIInChI=1S/C13H22N2O2/c1-13(6-8-17-9-13)15-7-2-3-11(12(15)16)14-10-4-5-10/h10-11,14H,2-9H2,1H3
InChIKeyRUDHDZZGRBCWDI-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)pyrrolidin-2-one
CID 103792111
3-(cyclopropylamino)-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-2-one
CID 114516757
3-(cyclopropylamino)-1-(3,5-dimethylcyclohexyl)piperidin-2-one
CID 64731740
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153
1-but-3-yn-2-yl-3-(cyclopropylamino)piperidin-2-one
CID 114420365
3-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-1-methylpiperidine-2,6-dione
CID 79900516
3-(cyclopropylamino)-1-(2-hydroxy-4,4-dimethylpentyl)piperidin-2-one
CID 107159445
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
CID 118740667
3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 113482349
1-methyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)piperidine-2,6-dione
CID 79900518

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one (CID 113482323) is 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one is CC1(N2CCCC(NC3CC3)C2=O)CCOC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one?
The InChIKey is RUDHDZZGRBCWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(6-8-17-9-13)15-7-2-3-11(12(15)16)14-10-4-5-10/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one?
3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(3-methyloxolan-3-yl)piperidin-2-one is sourced from PubChem (CID 113482323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).