ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate

C13H25N3O3 — CID 108989937

IUPACethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
SMILESCCCCN(C)C(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O3/c1-4-6-7-14(3)12(17)15-8-10-16(11-9-15)13(18)19-5-2/h4-11H2,1-3H3
InChIKeyBZLCFXOCYFIZGZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.61
Rot. Bonds4

About ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate

ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate (PubChem CID 108989937) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
PubChem CID108989937
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate
SMILESCCCCN(C)C(=O)N1CCN(C(=O)OCC)CC1
InChIInChI=1S/C13H25N3O3/c1-4-6-7-14(3)12(17)15-8-10-16(11-9-15)13(18)19-5-2/h4-11H2,1-3H3
InChIKeyBZLCFXOCYFIZGZ-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877476
N-methyl-N-pentylpyrrolidine-1-carboxamide
CID 116654215
ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106675
ethyl 4-[3-[butyl(methylsulfonyl)amino]propanoyl]piperazine-1-carboxylate
CID 113136690
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686
butyl aziridine-1-carboxylate
CID 12641
2-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877501
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
CID 113166709
ethyl 4-(2-butylsulfanylpropanoyl)piperazine-1-carboxylate
CID 134037908
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 4-[6-[butyl(methyl)amino]pyridazine-3-carbonyl]piperazine-1-carboxylate
CID 109123862

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate (CID 108989937) is ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate is CCCCN(C)C(=O)N1CCN(C(=O)OCC)CC1.
What is the InChIKey of ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate?
The InChIKey is BZLCFXOCYFIZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-6-7-14(3)12(17)15-8-10-16(11-9-15)13(18)19-5-2/h4-11H2,1-3H3.
What are the key properties of ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate?
ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[butyl(methyl)carbamoyl]piperazine-1-carboxylate is sourced from PubChem (CID 108989937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).