tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate

C15H29N3O3 — CID 50987939

IUPACtert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O3/c1-6-18(14(20)21-15(3,4)5)12(2)11-13(19)17-9-7-16-8-10-17/h12,16H,6-11H2,1-5H3
InChIKeyMPYFSBAOLMCRGB-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.45
Rot. Bonds4

About tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate

tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate (PubChem CID 50987939) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
PubChem CID50987939
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CC(=O)N1CCNCC1
InChIInChI=1S/C15H29N3O3/c1-6-18(14(20)21-15(3,4)5)12(2)11-13(19)17-9-7-16-8-10-17/h12,16H,6-11H2,1-5H3
InChIKeyMPYFSBAOLMCRGB-UHFFFAOYSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 70213372
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
(3R)-3,5,5-trimethyl-1-piperazin-1-ylhexan-1-one
CID 93256892
3-methoxy-1-piperazin-1-ylbutan-1-one
CID 82504294
butane;tert-butyl piperazine-1-carboxylate
CID 170170212
(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 146192524
4-O,7-O-ditert-butyl 1-O-propan-2-yl 1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 58918460
tert-butyl 4-(2-methylpropanoyl)piperazine-1-carboxylate;2-methyl-1-piperazin-1-ylpropan-1-one
CID 159250302
tert-butyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 57428961
tert-butyl piperazine-1-carboxylate;methane
CID 174471990
4-amino-3-methyl-1-piperazin-1-ylbutan-1-one
CID 81072124

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate (CID 50987939) is tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate is CCN(C(=O)OC(C)(C)C)C(C)CC(=O)N1CCNCC1.
What is the InChIKey of tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate?
The InChIKey is MPYFSBAOLMCRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-6-18(14(20)21-15(3,4)5)12(2)11-13(19)17-9-7-16-8-10-17/h12,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate?
tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate is sourced from PubChem (CID 50987939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).