tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate

C14H25N3O4 — CID 108895304

IUPACtert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-11(18)5-6-15-12(19)16-7-9-17(10-8-16)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,19)
InChIKeyHOJVYDUTKWNGDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.23
Rot. Bonds3

About tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate (PubChem CID 108895304) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
PubChem CID108895304
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate
SMILESCC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H25N3O4/c1-11(18)5-6-15-12(19)16-7-9-17(10-8-16)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,19)
InChIKeyHOJVYDUTKWNGDS-UHFFFAOYSA-N
XLogP1.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(3-ethoxy-3-oxopropyl)carbamoyl]piperazine-1-carboxylate
CID 127591993
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
tert-butyl N-[2-[(4-acetylpiperazine-1-carbonyl)amino]ethyl]carbamate
CID 108864367
tert-butyl 4-(cyclopentylmethylcarbamoyl)piperazine-1-carboxylate
CID 108902696
tert-butyl 4-ethanethioylpiperazine-1-carboxylate
CID 175151443
3-[[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetyl]amino]propanoic acid
CID 166607119
tert-butyl 4-[2-(2-chlorophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 108900441
tert-butyl 4-[2-[4-(trifluoromethyl)phenyl]ethylcarbamoyl]piperazine-1-carboxylate
CID 30264016
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
tert-butyl 4-(4-acetylpiperazine-1-carbonyl)piperazine-1-carboxylate
CID 20716162
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
tert-butyl 4-ethylpiperazine-1-carboxylate
CID 21224793

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate (CID 108895304) is tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate is CC(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is HOJVYDUTKWNGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(18)5-6-15-12(19)16-7-9-17(10-8-16)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,19).
What are the key properties of tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-oxobutylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 108895304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).