1,4-dimethyl-3-methylidenepiperazin-2-one

C7H12N2O — CID 58748682

IUPAC1,4-dimethyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C)CCN1C
InChIInChI=1S/C7H12N2O/c1-6-7(10)9(3)5-4-8(6)2/h1,4-5H2,2-3H3
InChIKeyKCUKILXZQHSJBL-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.10
Rot. Bonds

About 1,4-dimethyl-3-methylidenepiperazin-2-one

1,4-dimethyl-3-methylidenepiperazin-2-one (PubChem CID 58748682) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1,4-dimethyl-3-methylidenepiperazin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-methylidenepiperazin-2-one
PubChem CID58748682
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1,4-dimethyl-3-methylidenepiperazin-2-one
SMILESC=C1C(=O)N(C)CCN1C
InChIInChI=1S/C7H12N2O/c1-6-7(10)9(3)5-4-8(6)2/h1,4-5H2,2-3H3
InChIKeyKCUKILXZQHSJBL-UHFFFAOYSA-N
XLogP-0.10
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.10
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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Related Compounds

1,4-Diacetyl-3-methylidenepiperazine-2,5-dione
CID 15228669
Methylidenepiperazine-2-one
CID 67575125
4-Methyl-3-methylidene-1-(2,2,2-trifluoroethyl)piperazin-2-one
CID 123951722
4-(2-Fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051122
4-(2,2-Difluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051123
4-(3-Fluoropropyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051128
1-(2-Fluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528278
1-(2,2-Difluoroethyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528279
1-(3-Fluoropropyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528285
(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
CID 10680630
1-Acetyl-3-methylene-4-methylpiperazine-2,5-dione
CID 15326349
2-(Diethylamino)prop-2-enamide
CID 19745677

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-methylidenepiperazin-2-one?
The IUPAC name of 1,4-dimethyl-3-methylidenepiperazin-2-one (CID 58748682) is 1,4-dimethyl-3-methylidenepiperazin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-methylidenepiperazin-2-one?
The canonical SMILES for 1,4-dimethyl-3-methylidenepiperazin-2-one is C=C1C(=O)N(C)CCN1C.
What is the InChIKey of 1,4-dimethyl-3-methylidenepiperazin-2-one?
The InChIKey is KCUKILXZQHSJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-7(10)9(3)5-4-8(6)2/h1,4-5H2,2-3H3.
What are the key properties of 1,4-dimethyl-3-methylidenepiperazin-2-one?
1,4-dimethyl-3-methylidenepiperazin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-methylidenepiperazin-2-one is sourced from PubChem (CID 58748682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).