1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione

C14H24N2O2 — CID 64968342

IUPAC1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C2(C)CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)12-13(18)16(9-11(17)15-12)14(3)7-5-4-6-8-14/h10,12H,4-9H2,1-3H3,(H,15,17)
InChIKeyFFMLQEVRRGRADR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.69
Rot. Bonds2

About 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione

1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64968342) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64968342
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C2(C)CCCCC2)C1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)12-13(18)16(9-11(17)15-12)14(3)7-5-4-6-8-14/h10,12H,4-9H2,1-3H3,(H,15,17)
InChIKeyFFMLQEVRRGRADR-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64968246
3-tert-butyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
CID 64973656
3-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79350115
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965620
1-(3-methylbut-2-enyl)-3-propan-2-ylpiperazine-2,5-dione
CID 107902421
3,3-dimethyl-1-(1-methylcyclopentyl)piperazine-2,5-dione
CID 64973685
1-(2,2-dimethylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 103465478
3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968328
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64968342) is 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(C2(C)CCCCC2)C1=O.
What is the InChIKey of 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FFMLQEVRRGRADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)12-13(18)16(9-11(17)15-12)14(3)7-5-4-6-8-14/h10,12H,4-9H2,1-3H3,(H,15,17).
What are the key properties of 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 252.36 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64968342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).