4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one

C13H23N3O3 — CID 66258148

IUPAC4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCNC1COCC1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-4-14-10-8-19-7-9(10)11(17)16-6-5-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyIXWJRVMFAASBIA-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.65
Rot. Bonds3

About 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one

4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one (PubChem CID 66258148) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one
PubChem CID66258148
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one
SMILESCCNC1COCC1C(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C13H23N3O3/c1-4-14-10-8-19-7-9(10)11(17)16-6-5-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyIXWJRVMFAASBIA-UHFFFAOYSA-N
XLogP-0.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one (CID 66258148) is 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one is CCNC1COCC1C(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is IXWJRVMFAASBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-14-10-8-19-7-9(10)11(17)16-6-5-15-12(18)13(16,2)3/h9-10,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one?
4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 269.34 g/mol, XLogP of -0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 66258148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).