tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate

C19H36N4O4 — CID 71043584

IUPACtert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate
SMILESCCN(CCCN1CCNC(C(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N4O4/c1-5-22(18(25)27-19(2,3)4)9-6-8-21-10-7-20-16(15-21)17(24)23-11-13-26-14-12-23/h16,20H,5-15H2,1-4H3
InChIKeyWVCIBJSFKMTBEQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP0.77
Rot. Bonds6

About tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate

tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate (PubChem CID 71043584) has the molecular formula C19H36N4O4 and a molecular weight of 384.52 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate
PubChem CID71043584
Molecular FormulaC19H36N4O4
Molecular Weight384.52 g/mol
Exact Mass384.27
IUPAC Nametert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate
SMILESCCN(CCCN1CCNC(C(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H36N4O4/c1-5-22(18(25)27-19(2,3)4)9-6-8-21-10-7-20-16(15-21)17(24)23-11-13-26-14-12-23/h16,20H,5-15H2,1-4H3
InChIKeyWVCIBJSFKMTBEQ-UHFFFAOYSA-N
XLogP0.77
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 50.77
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 N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate (CID 71043584) is tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate is CCN(CCCN1CCNC(C(=O)N2CCOCC2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate?
The InChIKey is WVCIBJSFKMTBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O4/c1-5-22(18(25)27-19(2,3)4)9-6-8-21-10-7-20-16(15-21)17(24)23-11-13-26-14-12-23/h16,20H,5-15H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate?
tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate has a molecular weight of 384.52 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[3-[3-(morpholine-4-carbonyl)piperazin-1-yl]propyl]carbamate is sourced from PubChem (CID 71043584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).