4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide

C12H22N4O3 — CID 64891943

IUPAC4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H22N4O3/c1-2-14-11(18)16-6-4-15(5-7-16)10(17)12(13)3-8-19-9-12/h2-9,13H2,1H3,(H,14,18)
InChIKeyHITNFRDZVXZUCT-UHFFFAOYSA-N
MW270.33 g/mol
LogP-1.02
Rot. Bonds2

About 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide

4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide (PubChem CID 64891943) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide
PubChem CID64891943
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H22N4O3/c1-2-14-11(18)16-6-4-15(5-7-16)10(17)12(13)3-8-19-9-12/h2-9,13H2,1H3,(H,14,18)
InChIKeyHITNFRDZVXZUCT-UHFFFAOYSA-N
XLogP-1.02
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide (CID 64891943) is 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
The InChIKey is HITNFRDZVXZUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-2-14-11(18)16-6-4-15(5-7-16)10(17)12(13)3-8-19-9-12/h2-9,13H2,1H3,(H,14,18).
What are the key properties of 4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide?
4-(3-aminooxolane-3-carbonyl)-N-ethylpiperazine-1-carboxamide has a molecular weight of 270.33 g/mol, XLogP of -1.02, 2 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)-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 64891943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).