tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate

C14H24N2O5 — CID 3161315

IUPACtert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-8-20-11(17)9-10-12(18)15-6-7-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeyJTFJCGPHFHPQMS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.07
Rot. Bonds4

About tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate

tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate (PubChem CID 3161315) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
PubChem CID3161315
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nametert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate
SMILESCCCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O5/c1-5-8-20-11(17)9-10-12(18)15-6-7-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18)
InChIKeyJTFJCGPHFHPQMS-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopiperazin-2-yl]acetic acid
CID 2756051
tert-butyl (2S)-3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazine-1-carboxylate
CID 7425634
tert-butyl (2R)-3-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperazine-1-carboxylate
CID 7425635
pentyl 2-(1-heptanoyl-3-oxopiperazin-2-yl)acetate
CID 54789180
pentyl 2-[(2S)-1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 93083224
propyl 2-[3-oxo-1-(4-propoxybenzoyl)piperazin-2-yl]acetate
CID 4938477
dodecyl 2-[1-(2-bromoacetyl)-3-oxopiperazin-2-yl]acetate
CID 46736621
3-methylbutyl 2-[1-(2,2-dimethylpropanoyl)-3-oxopiperazin-2-yl]acetate
CID 17079755
ethyl 2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetate
CID 18524131
butyl 2-[(2S)-3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate
CID 9298360
propyl 2-[3-oxo-1-(4-propan-2-yloxybenzoyl)piperazin-2-yl]acetate
CID 4951912

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate (CID 3161315) is tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate is CCCOC(=O)CC1C(=O)NCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate?
The InChIKey is JTFJCGPHFHPQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-8-20-11(17)9-10-12(18)15-6-7-16(10)13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate?
tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-2-(2-oxo-2-propoxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 3161315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).