1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione

C15H26N2O2 — CID 79452090

IUPAC1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C2CC2)N(C(C)CC)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-9(3)12-15(19)17(10(4)6-2)13(11-7-8-11)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyBCWKGKLHEBIQTD-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds5

About 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione

1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione (PubChem CID 79452090) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
PubChem CID79452090
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C2CC2)N(C(C)CC)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-9(3)12-15(19)17(10(4)6-2)13(11-7-8-11)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyBCWKGKLHEBIQTD-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635
3-butan-2-yl-1-(1-cyclopropylethyl)-6-methylpiperazine-2,5-dione
CID 64960605
6-cyclopropyl-3-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888826
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3-butan-2-yl-7-methyl-1-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881975
1-butan-2-yl-6-tert-butyl-3-propan-2-ylpiperazine-2,5-dione
CID 79452301
6-butan-2-yl-1,6,7,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazine-3,5,8-trione
CID 11436446
3-butan-2-yl-1-(1-cyclopentylethyl)piperazine-2,5-dione
CID 64972207

Frequently Asked Questions

What is the IUPAC name of 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione (CID 79452090) is 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C2CC2)N(C(C)CC)C1=O.
What is the InChIKey of 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione?
The InChIKey is BCWKGKLHEBIQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-9(3)12-15(19)17(10(4)6-2)13(11-7-8-11)14(18)16-12/h9-13H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione?
1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 79452090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).