1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one

C13H22N4O3 — CID 64891359

IUPAC1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESNC1(C(=O)N2CCC(N3CCNC3=O)CC2)CCOC1
InChIInChI=1S/C13H22N4O3/c14-13(3-8-20-9-13)11(18)16-5-1-10(2-6-16)17-7-4-15-12(17)19/h10H,1-9,14H2,(H,15,19)
InChIKeyQZBPDGVSFXSTMM-UHFFFAOYSA-N
MW282.34 g/mol
LogP-0.88
Rot. Bonds2

About 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 64891359) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID64891359
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESNC1(C(=O)N2CCC(N3CCNC3=O)CC2)CCOC1
InChIInChI=1S/C13H22N4O3/c14-13(3-8-20-9-13)11(18)16-5-1-10(2-6-16)17-7-4-15-12(17)19/h10H,1-9,14H2,(H,15,19)
InChIKeyQZBPDGVSFXSTMM-UHFFFAOYSA-N
XLogP-0.88
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 64891359) is 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one is NC1(C(=O)N2CCC(N3CCNC3=O)CC2)CCOC1.
What is the InChIKey of 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is QZBPDGVSFXSTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c14-13(3-8-20-9-13)11(18)16-5-1-10(2-6-16)17-7-4-15-12(17)19/h10H,1-9,14H2,(H,15,19).
What are the key properties of 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 282.34 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 64891359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).