1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane

C12H24N2O — CID 155699912

IUPAC1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane
SMILESC=C1C(=O)N(CCCC)CCN1C.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-4-5-6-12-8-7-11(3)9(2)10(12)13;1-2/h2,4-8H2,1,3H3;1-2H3
InChIKeyGHECHGDVRDZRMH-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.10
Rot. Bonds3

About 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane

1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane (PubChem CID 155699912) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane.

Molecular Properties

Compound Name1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane
PubChem CID155699912
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane
SMILESC=C1C(=O)N(CCCC)CCN1C.CC
InChIInChI=1S/C10H18N2O.C2H6/c1-4-5-6-12-8-7-11(3)9(2)10(12)13;1-2/h2,4-8H2,1,3H3;1-2H3
InChIKeyGHECHGDVRDZRMH-UHFFFAOYSA-N
XLogP2.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane?
The IUPAC name of 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane (CID 155699912) is 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane.
What is the SMILES notation for 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane?
The canonical SMILES for 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane is C=C1C(=O)N(CCCC)CCN1C.CC.
What is the InChIKey of 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane?
The InChIKey is GHECHGDVRDZRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C2H6/c1-4-5-6-12-8-7-11(3)9(2)10(12)13;1-2/h2,4-8H2,1,3H3;1-2H3.
What are the key properties of 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane?
1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane has a molecular weight of 212.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methyl-3-methylidenepiperazin-2-one;ethane is sourced from PubChem (CID 155699912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).