6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64874379

IUPAC6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)(C)C)N(CC2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-11(2)13-16(21)19(10-12-8-6-7-9-12)14(15(20)18-13)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyXDKFTYALUWBPHD-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds3

About 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione

6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64874379) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64874379
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C(C)(C)C)N(CC2CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-11(2)13-16(21)19(10-12-8-6-7-9-12)14(15(20)18-13)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyXDKFTYALUWBPHD-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-tert-butyl-1-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873023
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903230
3-(cyclohexylmethyl)-2-cyclopentyl-5-propan-2-ylimidazolidin-4-one
CID 83247815
1-butan-2-yl-6-tert-butyl-3-propan-2-ylpiperazine-2,5-dione
CID 79452301
3-(cyclobutylmethyl)-2-ethyl-5-propan-2-ylimidazolidin-4-one
CID 83243656
3-(cyclobutylmethyl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83244568
3-(cyclopentylmethyl)-2-(5-methylthiophen-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83247562
6-ethyl-1-[(3-methylcyclopentyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 107415616
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164
1-butyl-6-cyclohexyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874575
2-(4-chlorophenyl)-3-(cyclobutylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83247048

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64874379) is 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C(C)(C)C)N(CC2CCCC2)C1=O.
What is the InChIKey of 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is XDKFTYALUWBPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)13-16(21)19(10-12-8-6-7-9-12)14(15(20)18-13)17(3,4)5/h11-14H,6-10H2,1-5H3,(H,18,20).
What are the key properties of 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64874379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).