tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate

C18H36N4O4 — CID 138454012

IUPACtert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)19-7-9-21-11-13-22(14-12-21)10-8-20-16(24)26-18(4,5)6/h7-14H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyQRBOONPXAOSKTR-UHFFFAOYSA-N
MW372.51 g/mol
LogP1.65
Rot. Bonds6

About tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate (PubChem CID 138454012) has the molecular formula C18H36N4O4 and a molecular weight of 372.51 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate
PubChem CID138454012
Molecular FormulaC18H36N4O4
Molecular Weight372.51 g/mol
Exact Mass372.27
IUPAC Nametert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)19-7-9-21-11-13-22(14-12-21)10-8-20-16(24)26-18(4,5)6/h7-14H2,1-6H3,(H,19,23)(H,20,24)
InChIKeyQRBOONPXAOSKTR-UHFFFAOYSA-N
XLogP1.65
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate (CID 138454012) is tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCN(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate?
The InChIKey is QRBOONPXAOSKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)19-7-9-21-11-13-22(14-12-21)10-8-20-16(24)26-18(4,5)6/h7-14H2,1-6H3,(H,19,23)(H,20,24).
What are the key properties of tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate has a molecular weight of 372.51 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 138454012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).