4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one

C10H17N3O3 — CID 64891426

IUPAC4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1(N)CCOC1
InChIInChI=1S/C10H17N3O3/c1-7-8(14)12-3-4-13(7)9(15)10(11)2-5-16-6-10/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyAFGZBDOHLNGMNI-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.55
Rot. Bonds1

About 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one

4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 64891426) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID64891426
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1(N)CCOC1
InChIInChI=1S/C10H17N3O3/c1-7-8(14)12-3-4-13(7)9(15)10(11)2-5-16-6-10/h7H,2-6,11H2,1H3,(H,12,14)
InChIKeyAFGZBDOHLNGMNI-UHFFFAOYSA-N
XLogP-1.55
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxolane-3-carboxamide
CID 64891757
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892558
(3-Aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 64892788
[4-(Ethylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 66258905
[4-(Methylamino)oxolan-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 66266435
3-amino-N-(4,4,4-trifluorobutan-2-yl)oxolane-3-carboxamide
CID 105937523
N-(2-amino-2-methylpropyl)oxolane-3-carboxamide
CID 14856408
Morpholin-3-yl(pyrrolidin-1-yl)methanone
CID 23053704
3,3-Dimethyl-6-(methylamino)-4-(oxolan-3-ylmethyl)-1,4-oxazepan-5-one
CID 60074692
1-(Oxolane-3-carbonyl)piperazine
CID 61273040
2-Amino-4-methoxy-1-morpholin-4-ylbutan-1-one
CID 62473881

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one (CID 64891426) is 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)C1(N)CCOC1.
What is the InChIKey of 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is AFGZBDOHLNGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7-8(14)12-3-4-13(7)9(15)10(11)2-5-16-6-10/h7H,2-6,11H2,1H3,(H,12,14).
What are the key properties of 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one?
4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 227.26 g/mol, XLogP of -1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminooxolane-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 64891426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).