1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one

C14H26N2O3 — CID 104766153

IUPAC1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCOC1(CN2CCCC(NC(C)C)C2=O)CCOC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-12-5-4-7-16(13(12)17)9-14(18-3)6-8-19-10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyMJIJTOGWHKDPIV-UHFFFAOYSA-N
MW270.37 g/mol
LogP0.78
Rot. Bonds5

About 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one

1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one (PubChem CID 104766153) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
PubChem CID104766153
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
SMILESCOC1(CN2CCCC(NC(C)C)C2=O)CCOC1
InChIInChI=1S/C14H26N2O3/c1-11(2)15-12-5-4-7-16(13(12)17)9-14(18-3)6-8-19-10-14/h11-12,15H,4-10H2,1-3H3
InChIKeyMJIJTOGWHKDPIV-UHFFFAOYSA-N
XLogP0.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
CID 104766156
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
N-[[1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 104762040
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136
3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
CID 106211601
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
3-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767875
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113450182
3-[(3-methoxyoxolan-3-yl)methyl]-2-(2-methylpropyl)-5-propan-2-ylimidazolidin-4-one
CID 104767838

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The IUPAC name of 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one (CID 104766153) is 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one.
What is the SMILES notation for 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The canonical SMILES for 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one is COC1(CN2CCCC(NC(C)C)C2=O)CCOC1.
What is the InChIKey of 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
The InChIKey is MJIJTOGWHKDPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11(2)15-12-5-4-7-16(13(12)17)9-14(18-3)6-8-19-10-14/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one?
1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one has a molecular weight of 270.37 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one is sourced from PubChem (CID 104766153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).