tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate

C14H26N2O4 — CID 44890940

IUPACtert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCOC(=O)C(C)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-11(12(17)19-5)10-15-6-8-16(9-7-15)13(18)20-14(2,3)4/h11H,6-10H2,1-5H3
InChIKeyBDEAVZQFIXHXIP-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate

tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate (PubChem CID 44890940) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
PubChem CID44890940
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
SMILESCOC(=O)C(C)CN1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O4/c1-11(12(17)19-5)10-15-6-8-16(9-7-15)13(18)20-14(2,3)4/h11H,6-10H2,1-5H3
InChIKeyBDEAVZQFIXHXIP-UHFFFAOYSA-N
XLogP1.35
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid
CID 2735644
3-(4-((Tert-butoxy)carbonyl)piperazin-1-yl)propanoic acid hydrochloride
CID 2769353
Methyl 3-{[(tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoate
CID 61598767
3-((2S)-4-((tert-butoxy)carbonyl)-2-methylpiperazin-1-yl)propanoic acid
CID 72211506
Tert-butyl 4-(3-oxobutyl)piperazine-1-carboxylate
CID 23081416
4-(2-Ethoxycarbonyl-2,2-difluoro-ethyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 66760563
Tert-butyl 4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909318
tert-butyl (3R)-4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909481
tert-butyl (3S)-4-(3-ethoxy-3-oxopropyl)-3-(fluoromethyl)piperazine-1-carboxylate
CID 118909484
Tert-butyl 4-(3-fluorooxy-3-oxopropyl)piperazine-1-carboxylate
CID 144971805
Tert-butyl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate
CID 46785871
3,3,3-Trifluoro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]propanoic acid
CID 104933616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate (CID 44890940) is tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate is COC(=O)C(C)CN1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
The InChIKey is BDEAVZQFIXHXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-11(12(17)19-5)10-15-6-8-16(9-7-15)13(18)20-14(2,3)4/h11H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate?
tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate is sourced from PubChem (CID 44890940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).