6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione

C12H20N2O2 — CID 64885067

IUPAC6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C2CC2)C(=O)N1C
InChIInChI=1S/C12H20N2O2/c1-4-7(2)10-11(15)13-9(8-5-6-8)12(16)14(10)3/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyQSSUXQZILKOMTB-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.77
Rot. Bonds3

About 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione

6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione (PubChem CID 64885067) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
PubChem CID64885067
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C2CC2)C(=O)N1C
InChIInChI=1S/C12H20N2O2/c1-4-7(2)10-11(15)13-9(8-5-6-8)12(16)14(10)3/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyQSSUXQZILKOMTB-UHFFFAOYSA-N
XLogP0.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-1-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885064
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64886195
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
3-cyclopropyl-6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886005
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527
6-cyclohexyl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64886585
3-cyclopropyl-1-(4-methylpentyl)-6-propylpiperazine-2,5-dione
CID 83168014
6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione (CID 64885067) is 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C2CC2)C(=O)N1C.
What is the InChIKey of 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione?
The InChIKey is QSSUXQZILKOMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-7(2)10-11(15)13-9(8-5-6-8)12(16)14(10)3/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione?
6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione has a molecular weight of 224.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 64885067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).