1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione

C17H22N2O2 — CID 114551374

IUPAC1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione
SMILESCC1(C)CCC(N2CC(=O)NC(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H22N2O2/c1-17(2)9-8-13(10-17)19-11-14(20)18-15(16(19)21)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,20)
InChIKeyGXCRVCBGGVLACY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.26
Rot. Bonds2

About 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione

1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione (PubChem CID 114551374) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione
PubChem CID114551374
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione
SMILESCC1(C)CCC(N2CC(=O)NC(c3ccccc3)C2=O)C1
InChIInChI=1S/C17H22N2O2/c1-17(2)9-8-13(10-17)19-11-14(20)18-15(16(19)21)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,20)
InChIKeyGXCRVCBGGVLACY-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylcyclopentyl)-5-phenylimidazolidin-4-one
CID 114552517
3-(4,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83264000
1-pentan-3-yl-3-phenylpiperazine-2,5-dione
CID 64958214
1-(4,4-dimethylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64972911
3-(3,3-dimethylcyclopentyl)-5-methylimidazolidin-4-one
CID 114552415
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-phenylpiperazine-2,5-dione
CID 80725487
1-[(2-methylthiolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 80724055
6-(3,3-dimethylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114552420
1-(4,4-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64972851
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-1,4-diazepane-2,5-dione
CID 114551444

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione (CID 114551374) is 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione is CC1(C)CCC(N2CC(=O)NC(c3ccccc3)C2=O)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione?
The InChIKey is GXCRVCBGGVLACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)9-8-13(10-17)19-11-14(20)18-15(16(19)21)12-6-4-3-5-7-12/h3-7,13,15H,8-11H2,1-2H3,(H,18,20).
What are the key properties of 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione?
1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 114551374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).