1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one

C11H18N2O — CID 123382558

IUPAC1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(CC2CCC2)CCN1C
InChIInChI=1S/C11H18N2O/c1-9-11(14)13(7-6-12(9)2)8-10-4-3-5-10/h10H,1,3-8H2,2H3
InChIKeySOYFGRFNXAUDKC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.07
Rot. Bonds2

About 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one

1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one (PubChem CID 123382558) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one
PubChem CID123382558
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(CC2CCC2)CCN1C
InChIInChI=1S/C11H18N2O/c1-9-11(14)13(7-6-12(9)2)8-10-4-3-5-10/h10H,1,3-8H2,2H3
InChIKeySOYFGRFNXAUDKC-UHFFFAOYSA-N
XLogP1.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.07
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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Related Compounds

1-Butyl-4-methyl-3-methylidenepiperazin-2-one;ethane
CID 155699912
2-(4-Methylpiperidin-1-yl)prop-2-enamide
CID 156540709
2-(3-Methylpiperidin-1-yl)prop-2-enamide
CID 156540715
2-(Methylamino)-1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 169181796
1,4-Dimethyl-3-methylidene-6-(2-methylpropyl)piperazine-2,5-dione
CID 10584580
1-Butyl-4-methyl-3-methylidenepiperazin-2-one
CID 155699913
4-(Cyclopropylmethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051129
3-Methylidene-4-(2-methylpropyl)-1-propan-2-ylpiperazin-2-one
CID 158051131
4-Butyl-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051132
4-Ethyl-3-methylidene-1-(2-methylpropyl)piperazin-2-one
CID 158891837
1-(Cyclopropylmethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528286
3-Methylidene-1-(2-methylpropyl)-4-propan-2-ylpiperazin-2-one
CID 161528288

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one (CID 123382558) is 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one is C=C1C(=O)N(CC2CCC2)CCN1C.
What is the InChIKey of 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one?
The InChIKey is SOYFGRFNXAUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-11(14)13(7-6-12(9)2)8-10-4-3-5-10/h10H,1,3-8H2,2H3.
What are the key properties of 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one?
1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-methyl-3-methylidenepiperazin-2-one is sourced from PubChem (CID 123382558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).