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

C15H28N2O2 — CID 64965166

IUPAC1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCC(C)N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)17-9-13(18)16-14(11(3)4)15(17)19/h10-12,14H,6-9H2,1-5H3,(H,16,18)
InChIKeyQXVKKYGWRVPVSC-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.18
Rot. Bonds6

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

1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64965166) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64965166
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)CCCC(C)N1CC(=O)NC(C(C)C)C1=O
InChIInChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)17-9-13(18)16-14(11(3)4)15(17)19/h10-12,14H,6-9H2,1-5H3,(H,16,18)
InChIKeyQXVKKYGWRVPVSC-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-methylheptan-2-yl)-3-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

1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
2-methyl-3-(6-methylheptan-2-yl)-5-propan-2-ylimidazolidin-4-one
CID 83252163
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965620
1-hexan-2-yl-3-methylpiperazine-2,5-dione
CID 64969050
1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine-2,5-dione
CID 79350115
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
3-heptan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83252650

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64965166) is 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)CCCC(C)N1CC(=O)NC(C(C)C)C1=O.
What is the InChIKey of 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is QXVKKYGWRVPVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-10(2)7-6-8-12(5)17-9-13(18)16-14(11(3)4)15(17)19/h10-12,14H,6-9H2,1-5H3,(H,16,18).
What are the key properties of 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione?
1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).