3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione

C16H28N2O2 — CID 64886211

IUPAC3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)C(C2CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O2/c1-4-10-18-14(11(2)3)15(19)17-13(16(18)20)12-8-6-5-7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySJYJGEMADPZHIU-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione

3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione (PubChem CID 64886211) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
PubChem CID64886211
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
SMILESCCCN1C(=O)C(C2CCCCC2)NC(=O)C1C(C)C
InChIInChI=1S/C16H28N2O2/c1-4-10-18-14(11(2)3)15(19)17-13(16(18)20)12-8-6-5-7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19)
InChIKeySJYJGEMADPZHIU-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64886195
3-cyclopropyl-6-propan-2-yl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886005
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-1,6-dipropylpiperazine-2,5-dione
CID 64886190
3-cyclopropyl-6-propan-2-yl-1-[2-(1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 64971209
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
3-cyclohexyl-1-(cyclopropylmethyl)-6-ethylpiperazine-2,5-dione
CID 64887557
3-cyclohexyl-1-(2-methoxyethyl)-6-propylpiperazine-2,5-dione
CID 64885264
6-butan-2-yl-3-cyclopropyl-1-methylpiperazine-2,5-dione
CID 64885067
1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874575
3-cyclohexyl-1-propyl-1,4-diazepane-2,5-dione
CID 64883054

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione?
The IUPAC name of 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione (CID 64886211) is 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione is CCCN1C(=O)C(C2CCCCC2)NC(=O)C1C(C)C.
What is the InChIKey of 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione?
The InChIKey is SJYJGEMADPZHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-4-10-18-14(11(2)3)15(19)17-13(16(18)20)12-8-6-5-7-9-12/h11-14H,4-10H2,1-3H3,(H,17,19).
What are the key properties of 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione?
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 64886211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).