1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one

C15H28N2O — CID 118358850

IUPAC1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
SMILESC=C(CC)N1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)5/h2,6-12H2,1,3-5H3
InChIKeyQIFKZGOIESYYKR-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.53
Rot. Bonds5

About 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one

1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one (PubChem CID 118358850) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
PubChem CID118358850
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one
SMILESC=C(CC)N1CCN(CCC(=O)C(C)(C)C)CC1
InChIInChI=1S/C15H28N2O/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)5/h2,6-12H2,1,3-5H3
InChIKeyQIFKZGOIESYYKR-UHFFFAOYSA-N
XLogP2.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylpiperazin-1-yl)-4,4-dimethylpentan-3-one
CID 62625465
4,4-dimethyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentan-3-one
CID 62968608
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-one
CID 62624586
N-[3-(4-but-1-en-2-ylpiperazin-1-yl)prop-1-en-2-yl]-2,2-dimethylpropanamide
CID 118358856
4,4-dimethyl-1-thiomorpholin-4-ylpentan-3-one
CID 62624932
1-[4-(1-hydroxyethyl)piperidin-1-yl]-4,4-dimethylpentan-3-one
CID 103578354
1-(1,1-dioxo-1,4-thiazepan-4-yl)-4,4-dimethylpentan-3-one
CID 103578357
methyl 3-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]propanoate
CID 113221897
1-(2-ethylmorpholin-4-yl)-4,4-dimethylpentan-3-one
CID 62623866
3-(4-methylpiperazin-1-yl)propanoyl 2,2-dimethylpropanoate
CID 58208526
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
1-[4-[(4-propylpiperazin-1-yl)methyl]piperazin-1-yl]propan-1-one
CID 178000242

Frequently Asked Questions

What is the IUPAC name of 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one (CID 118358850) is 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one is C=C(CC)N1CCN(CCC(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
The InChIKey is QIFKZGOIESYYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-6-13(2)17-11-9-16(10-12-17)8-7-14(18)15(3,4)5/h2,6-12H2,1,3-5H3.
What are the key properties of 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one?
1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one has a molecular weight of 252.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-but-1-en-2-ylpiperazin-1-yl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 118358850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).