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

C17H30N2O2 — CID 64903230

IUPAC3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-11(2)13-15(20)18-14(17(3,4)5)16(21)19(13)10-12-8-6-7-9-12/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyGOQSQCRFROHPDN-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.57
Rot. Bonds3

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

3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64903230) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64903230
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CC1CCCC1
InChIInChI=1S/C17H30N2O2/c1-11(2)13-15(20)18-14(17(3,4)5)16(21)19(13)10-12-8-6-7-9-12/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyGOQSQCRFROHPDN-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-tert-butyl-1-(cyclopentylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874379
3-tert-butyl-1-(3-chloro-2-methylprop-2-enyl)-6-propan-2-ylpiperazine-2,5-dione
CID 106440683
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
3-ethyl-1-(oxan-3-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64967664
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
1-(cyclopentylmethyl)-6-(2-methylpropyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873014
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
3-cyclohexyl-6-propan-2-yl-1-propylpiperazine-2,5-dione
CID 64886211
3-ethyl-1-[(1-methylpyrrolidin-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64963527
3-cyclopropyl-1-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64886195
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64903230) is 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C(C)(C)C)C(=O)N1CC1CCCC1.
What is the InChIKey of 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GOQSQCRFROHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-11(2)13-15(20)18-14(17(3,4)5)16(21)19(13)10-12-8-6-7-9-12/h11-14H,6-10H2,1-5H3,(H,18,20).
What are the key properties of 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
3-tert-butyl-1-(cyclopentylmethyl)-6-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 3-tert-butyl-1-(cyclopentylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64903230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).