3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione

C16H30N2O3 — CID 64902709

IUPAC3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CCOC(C)C
InChIInChI=1S/C16H30N2O3/c1-6-8-13-15(19)17-14(12(5)7-2)16(20)18(13)9-10-21-11(3)4/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyFAOJPOVCOVABSB-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds8

About 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione

3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione (PubChem CID 64902709) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
PubChem CID64902709
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NC(C(C)CC)C(=O)N1CCOC(C)C
InChIInChI=1S/C16H30N2O3/c1-6-8-13-15(19)17-14(12(5)7-2)16(20)18(13)9-10-21-11(3)4/h11-14H,6-10H2,1-5H3,(H,17,19)
InChIKeyFAOJPOVCOVABSB-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-butan-2-yl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82926807
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
6-butan-2-yl-3-propan-2-yl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64873399
1-[2-(2-methylpropoxy)ethyl]-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 106458916
1-(3-methoxypropyl)-3-propan-2-yl-6-propylpiperazine-2,5-dione
CID 64872679
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-propylpiperazine-2,5-dione
CID 106440709
3-butan-2-yl-1-butyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64903086
3-butan-2-yl-1-(oxolan-2-ylmethyl)-6-propylpiperazine-2,5-dione
CID 64902530
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
5-propan-2-yl-3-(2-propan-2-yloxyethyl)-2-propylimidazolidin-4-one
CID 104767674
3-butan-2-yl-1-[3-(dimethylamino)propyl]-6-ethylpiperazine-2,5-dione
CID 64960213

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione (CID 64902709) is 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione is CCCC1C(=O)NC(C(C)CC)C(=O)N1CCOC(C)C.
What is the InChIKey of 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione?
The InChIKey is FAOJPOVCOVABSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-8-13-15(19)17-14(12(5)7-2)16(20)18(13)9-10-21-11(3)4/h11-14H,6-10H2,1-5H3,(H,17,19).
What are the key properties of 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione?
3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-propan-2-yloxyethyl)-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64902709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).