1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64874575

IUPAC1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)C)NC(=O)C1C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-4-5-11-19-15(13-9-7-6-8-10-13)16(20)18-14(12(2)3)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyYQFQBXUAMIXABV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds5

About 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione

1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874575) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64874575
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCCCN1C(=O)C(C(C)C)NC(=O)C1C1CCCCC1
InChIInChI=1S/C17H30N2O2/c1-4-5-11-19-15(13-9-7-6-8-10-13)16(20)18-14(12(2)3)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20)
InChIKeyYQFQBXUAMIXABV-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-1-hexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874181
6-cyclopropyl-3-ethyl-1-hexylpiperazine-2,5-dione
CID 64902231
1-butyl-6-cyclopropyl-3-phenylpiperazine-2,5-dione
CID 64885551
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
1-(3-chloro-2-methylprop-2-enyl)-6-cyclopropyl-3-propan-2-ylpiperazine-2,5-dione
CID 106440647
6-cyclopropyl-1-[(5-methyloxolan-2-yl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103141773
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
2-cyclopentyl-3-(5-methylhexyl)-5-propan-2-ylimidazolidin-4-one
CID 83269160
3-butan-2-yl-1-cyclohexyl-6-cyclopropylpiperazine-2,5-dione
CID 82923635
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
1-butyl-3-cyclohexyl-6-[1-[(4-phenoxyphenyl)methyl]piperidin-4-yl]piperazine-2,5-dione
CID 77250121
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione (CID 64874575) is 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione is CCCCN1C(=O)C(C(C)C)NC(=O)C1C1CCCCC1.
What is the InChIKey of 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YQFQBXUAMIXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-5-11-19-15(13-9-7-6-8-10-13)16(20)18-14(12(2)3)17(19)21/h12-15H,4-11H2,1-3H3,(H,18,20).
What are the key properties of 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione?
1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).