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

C17H28N2O2 — CID 64886009

IUPAC6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C2CC2)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H28N2O2/c1-3-11(2)15-16(20)18-14(13-8-9-13)17(21)19(15)10-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyBRCGANZUIKWNKL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.33
Rot. Bonds5

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

6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione (PubChem CID 64886009) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
PubChem CID64886009
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(C2CC2)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H28N2O2/c1-3-11(2)15-16(20)18-14(13-8-9-13)17(21)19(15)10-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3,(H,18,20)
InChIKeyBRCGANZUIKWNKL-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Launch Full Analysis

Related Compounds

6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64885067
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64886195
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903230
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64885975
6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 64872717
6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64901588
1-(cyclopentylmethyl)-6-cyclopropyl-3-methylpiperazine-2,5-dione
CID 64874680
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione (CID 64886009) is 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(C2CC2)C(=O)N1CC1CCCC1.
What is the InChIKey of 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione?
The InChIKey is BRCGANZUIKWNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-11(2)15-16(20)18-14(13-8-9-13)17(21)19(15)10-12-6-4-5-7-12/h11-15H,3-10H2,1-2H3,(H,18,20).
What are the key properties of 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione?
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione has a molecular weight of 292.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64886009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).