tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate

C15H28N2O3 — CID 171557754

IUPACtert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCN1C(C)=O
InChIInChI=1S/C15H28N2O3/c1-6-7-8-13-11-16(9-10-17(13)12(2)18)14(19)20-15(3,4)5/h13H,6-11H2,1-5H3
InChIKeyYBELHPINEZRDNG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.64
Rot. Bonds3

About tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate

tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate (PubChem CID 171557754) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
PubChem CID171557754
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)CCN1C(C)=O
InChIInChI=1S/C15H28N2O3/c1-6-7-8-13-11-16(9-10-17(13)12(2)18)14(19)20-15(3,4)5/h13H,6-11H2,1-5H3
InChIKeyYBELHPINEZRDNG-UHFFFAOYSA-N
XLogP2.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ditert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1,4-dicarboxylate
CID 69212205
tert-butyl (3S)-4-carbonochloridoyl-3-ethylpiperazine-1-carboxylate
CID 87713865
2-[(2S)-2-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]benzoic acid
CID 45072647
3-(4-hydroxybutyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 69210456
2-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carboxylic acid
CID 67221138
tert-butyl 3-butyl-4-hydroxypiperidine-1-carboxylate
CID 114452023
tert-butyl 3-ethyl-4-(2,2,2-trifluoroacetyl)piperazine-1-carboxylate
CID 154652517
tert-butyl (2R,4S)-2-butyl-4-hydroxypyrrolidine-1-carboxylate
CID 99994221
2-[[2-butyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 75088575
ditert-butyl 2-(2-methoxy-2-oxoethyl)piperazine-1,4-dicarboxylate
CID 4055116
tert-butyl 3-butyl-1,4-diazepane-1-carboxylate
CID 151095536
ditert-butyl 2-(2-pyrrolidin-1-ylsulfonylethyl)piperazine-1,4-dicarboxylate
CID 22711412

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate (CID 171557754) is tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate is CCCCC1CN(C(=O)OC(C)(C)C)CCN1C(C)=O.
What is the InChIKey of tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate?
The InChIKey is YBELHPINEZRDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-7-8-13-11-16(9-10-17(13)12(2)18)14(19)20-15(3,4)5/h13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate?
tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-acetyl-3-butylpiperazine-1-carboxylate is sourced from PubChem (CID 171557754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).