3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one

C12H20N2O3 — CID 136535585

IUPAC3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one
SMILESCC1OCCCC1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H20N2O3/c1-8-11(15)13-5-6-14(8)12(16)10-4-3-7-17-9(10)2/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyMTXSFDBXNLMICS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds1

About 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one

3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one (PubChem CID 136535585) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one
PubChem CID136535585
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one
SMILESCC1OCCCC1C(=O)N1CCNC(=O)C1C
InChIInChI=1S/C12H20N2O3/c1-8-11(15)13-5-6-14(8)12(16)10-4-3-7-17-9(10)2/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyMTXSFDBXNLMICS-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one (CID 136535585) is 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one is CC1OCCCC1C(=O)N1CCNC(=O)C1C.
What is the InChIKey of 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one?
The InChIKey is MTXSFDBXNLMICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-11(15)13-5-6-14(8)12(16)10-4-3-7-17-9(10)2/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one?
3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one has a molecular weight of 240.30 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyloxane-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 136535585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).