3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

C17H30N2O2 — CID 107888864

IUPAC3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C(C)CC)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H30N2O2/c1-6-8-12(4)19-15(20)14(11(3)7-2)18-16(21)17(19,5)13-9-10-13/h11-14H,6-10H2,1-5H3,(H,18,21)
InChIKeySMMRQYFGJNQNSG-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.72
Rot. Bonds6

About 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione

3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (PubChem CID 107888864) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
PubChem CID107888864
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
SMILESCCCC(C)N1C(=O)C(C(C)CC)NC(=O)C1(C)C1CC1
InChIInChI=1S/C17H30N2O2/c1-6-8-12(4)19-15(20)14(11(3)7-2)18-16(21)17(19,5)13-9-10-13/h11-14H,6-10H2,1-5H3,(H,18,21)
InChIKeySMMRQYFGJNQNSG-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888784
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901
3-butan-2-yl-1-[(E)-3-chloroprop-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107902215
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
1-butan-2-yl-3-tert-butyl-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 79452305
6-cyclopropyl-3-ethyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64900730
6-cyclopropyl-3,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64874919
3-butan-2-yl-1-(2-methylpentyl)-1,4-diazepane-2,5-dione
CID 64883530
3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64902150
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
6-cyclopropyl-6-methyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64879359

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione (CID 107888864) is 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is CCCC(C)N1C(=O)C(C(C)CC)NC(=O)C1(C)C1CC1.
What is the InChIKey of 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
The InChIKey is SMMRQYFGJNQNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-8-12(4)19-15(20)14(11(3)7-2)18-16(21)17(19,5)13-9-10-13/h11-14H,6-10H2,1-5H3,(H,18,21).
What are the key properties of 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione?
3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione has a molecular weight of 294.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 107888864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).