(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione

C10H12N2O4 — CID 10680630

IUPAC(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)[C@@H](C)C(=O)N1C(C)=O
InChIInChI=1S/C10H12N2O4/c1-5-9(15)12(8(4)14)6(2)10(16)11(5)7(3)13/h6H,1H2,2-4H3/t6-/m0/s1
InChIKeyHFJRVZQATWGDMD-LURJTMIESA-N
MW224.22 g/mol
LogP-0.35
Rot. Bonds

About (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione

(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione (PubChem CID 10680630) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
PubChem CID10680630
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione
SMILESC=C1C(=O)N(C(C)=O)[C@@H](C)C(=O)N1C(C)=O
InChIInChI=1S/C10H12N2O4/c1-5-9(15)12(8(4)14)6(2)10(16)11(5)7(3)13/h6H,1H2,2-4H3/t6-/m0/s1
InChIKeyHFJRVZQATWGDMD-LURJTMIESA-N
XLogP-0.35
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione with MolForge

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Related Compounds

1,4-Diacetyl-3-methylidenepiperazine-2,5-dione
CID 15228669
4-(2-Fluoroethyl)-3-methylidene-1-propan-2-ylpiperazin-2-one
CID 158051122
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-(3-Fluoropropyl)-3-methylidene-4-propan-2-ylpiperazin-2-one
CID 161528285
(6S)-1,6-dimethyl-3-methylidenepiperazine-2,5-dione
CID 10534880
1-Acetyl-3-methylene-4-methylpiperazine-2,5-dione
CID 15326349
1,4-Dimethyl-3-methylidenepiperazin-2-one
CID 58748682
6-Methylidene-1-propan-2-ylpiperazine-2,5-dione
CID 69578376
(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 89063960
(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
CID 89194292
1,4-Bis(2-methylprop-2-enoyl)piperazine-2,3-dione
CID 139972962

Frequently Asked Questions

What is the IUPAC name of (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione?
The IUPAC name of (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione (CID 10680630) is (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione.
What is the SMILES notation for (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione?
The canonical SMILES for (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione is C=C1C(=O)N(C(C)=O)[C@@H](C)C(=O)N1C(C)=O.
What is the InChIKey of (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione?
The InChIKey is HFJRVZQATWGDMD-LURJTMIESA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-9(15)12(8(4)14)6(2)10(16)11(5)7(3)13/h6H,1H2,2-4H3/t6-/m0/s1.
What are the key properties of (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione?
(3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione has a molecular weight of 224.22 g/mol, XLogP of -0.35, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,4-diacetyl-3-methyl-6-methylidenepiperazine-2,5-dione is sourced from PubChem (CID 10680630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).