tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate

C17H32N4O4 — CID 156856722

IUPACtert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate
SMILESCNC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1
InChIInChI=1S/C17H32N4O4/c1-17(2,3)25-16(23)21-7-5-19(6-8-21)13-14(15(22)18-4)20-9-11-24-12-10-20/h14H,5-13H2,1-4H3,(H,18,22)
InChIKeyIKPICOTUYJIOSR-UHFFFAOYSA-N
MW356.47 g/mol
LogP-0.01
Rot. Bonds4

About tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate

tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate (PubChem CID 156856722) has the molecular formula C17H32N4O4 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate
PubChem CID156856722
Molecular FormulaC17H32N4O4
Molecular Weight356.47 g/mol
Exact Mass356.24
IUPAC Nametert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate
SMILESCNC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1
InChIInChI=1S/C17H32N4O4/c1-17(2,3)25-16(23)21-7-5-19(6-8-21)13-14(15(22)18-4)20-9-11-24-12-10-20/h14H,5-13H2,1-4H3,(H,18,22)
InChIKeyIKPICOTUYJIOSR-UHFFFAOYSA-N
XLogP-0.01
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-Butyl 3-ethyl piperazine-1,3-dicarboxylate
CID 11402671
(2R,5S)-tert-butyl 2-methyl-5-(((R)-3-methylmorpholino)methyl)piperazine-1-carboxylate
CID 70980298
tert-butyl (2R)-4-tert-butyl-2-(piperazine-1-carbonyl)piperazine-1-carboxylate
CID 59370250
1-O,9-O-ditert-butyl 3-O-ethyl 1,4,9-triazaspiro[5.5]undecane-1,3,9-tricarboxylate
CID 134851745
1-O-tert-butyl 3-O-ethyl 6-methylpiperazine-1,3-dicarboxylate
CID 134862767
1-O-tert-butyl 3-O-ethyl (3S,5S)-5-methylpiperazine-1,3-dicarboxylate
CID 134862864
t-Butyl ((s)-3-((s)-3-((t-butoxycarbonyl)amino)-4-(4-methylpiperazin-1-yl)-4-oxobutan-amido)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl)carbamate
CID 171378245
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-methyl-N-[4-(4-morpholinyl)butyl]acetamide
CID 45177104
tert-butyl N-[2-methyl-1-[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]carbamate
CID 71883192
Ethyl 1-tert-butoxycarbonyl-2-piperazinecarboxylate
CID 10967168
((1S)-Methyl-2-morpholin-4-yl-2-oxo-ethyl)-carbamic acid tert-butyl ester
CID 15458722
(1-Methylpiperazin-2-yl)-morpholin-4-ylmethanone
CID 17812060

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate (CID 156856722) is tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate is CNC(=O)C(CN1CCN(C(=O)OC(C)(C)C)CC1)N1CCOCC1.
What is the InChIKey of tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate?
The InChIKey is IKPICOTUYJIOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O4/c1-17(2,3)25-16(23)21-7-5-19(6-8-21)13-14(15(22)18-4)20-9-11-24-12-10-20/h14H,5-13H2,1-4H3,(H,18,22).
What are the key properties of tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate has a molecular weight of 356.47 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(methylamino)-2-morpholin-4-yl-3-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 156856722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).