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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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).