3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 64973556

IUPAC3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(C2(C)CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-12(4)13-16(21)19(17(5)9-7-8-10-17)14(11(2)3)15(20)18-13/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyDJMWEILXVJIDOB-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds4

About 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione

3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64973556) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64973556
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(C(C)C)N(C2(C)CCCC2)C1=O
InChIInChI=1S/C17H30N2O2/c1-6-12(4)13-16(21)19(17(5)9-7-8-10-17)14(11(2)3)15(20)18-13/h11-14H,6-10H2,1-5H3,(H,18,20)
InChIKeyDJMWEILXVJIDOB-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-butan-2-yl-6-methyl-1-(1-methylcyclobutyl)piperazine-2,5-dione
CID 113486087
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968328
2-(1-methylcyclopentyl)-3-propan-2-yl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944933
3-ethyl-3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968189
3-butan-2-yl-6-propan-2-yl-1-(thiolan-3-yl)piperazine-2,5-dione
CID 103065061
3-butan-2-yl-1-hexan-3-yl-6-propan-2-ylpiperazine-2,5-dione
CID 64969105
3-butan-2-yl-1-(2,2-dimethylbutyl)-6-propan-2-ylpiperazine-2,5-dione
CID 103465503
3-butan-2-yl-1-(2-methoxy-2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 104766455
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645603
3-butan-2-yl-1-(3,3-dimethylcyclopentyl)-6-methylpiperazine-2,5-dione
CID 114551437

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64973556) is 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione is CCC(C)C1NC(=O)C(C(C)C)N(C2(C)CCCC2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is DJMWEILXVJIDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-12(4)13-16(21)19(17(5)9-7-8-10-17)14(11(2)3)15(20)18-13/h11-14H,6-10H2,1-5H3,(H,18,20).
What are the key properties of 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione?
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64973556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).