6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

C16H28N2O2 — CID 64971117

IUPAC6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC2(C)CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(12(3)14(19)17-13)10-16(4)7-5-6-8-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyDBWAJFSFZRLSDD-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds4

About 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione

6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64971117) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64971117
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(CC2(C)CCCC2)C1=O
InChIInChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(12(3)14(19)17-13)10-16(4)7-5-6-8-16/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyDBWAJFSFZRLSDD-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

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Related Compounds

3-[(1-methylcyclopentyl)methyl]-2,5-bis(2-methylpropyl)imidazolidin-4-one
CID 83262725
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
3-tert-butyl-6-methyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971337
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586725
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 114095172
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
3-ethyl-3,6-dimethyl-1-[(1-methylcyclopentyl)methyl]piperazine-2,5-dione
CID 64971349
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione (CID 64971117) is 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(CC2(C)CCCC2)C1=O.
What is the InChIKey of 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is DBWAJFSFZRLSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-11(2)9-13-15(20)18(12(3)14(19)17-13)10-16(4)7-5-6-8-16/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione?
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-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 6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64971117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).