tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate

C18H37N5O2 — CID 155392088

IUPACtert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate
SMILESCCC(C1CNCCN1CCNC(=O)OC(C)(C)C)N1CCNCC1
InChIInChI=1S/C18H37N5O2/c1-5-15(22-10-6-19-7-11-22)16-14-20-8-12-23(16)13-9-21-17(24)25-18(2,3)4/h15-16,19-20H,5-14H2,1-4H3,(H,21,24)
InChIKeyOSWGTLYXMZFAGL-UHFFFAOYSA-N
MW355.53 g/mol
LogP0.47
Rot. Bonds6

About tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate

tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate (PubChem CID 155392088) has the molecular formula C18H37N5O2 and a molecular weight of 355.53 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate
PubChem CID155392088
Molecular FormulaC18H37N5O2
Molecular Weight355.53 g/mol
Exact Mass355.29
IUPAC Nametert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate
SMILESCCC(C1CNCCN1CCNC(=O)OC(C)(C)C)N1CCNCC1
InChIInChI=1S/C18H37N5O2/c1-5-15(22-10-6-19-7-11-22)16-14-20-8-12-23(16)13-9-21-17(24)25-18(2,3)4/h15-16,19-20H,5-14H2,1-4H3,(H,21,24)
InChIKeyOSWGTLYXMZFAGL-UHFFFAOYSA-N
XLogP0.47
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate (CID 155392088) is tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate is CCC(C1CNCCN1CCNC(=O)OC(C)(C)C)N1CCNCC1.
What is the InChIKey of tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate?
The InChIKey is OSWGTLYXMZFAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N5O2/c1-5-15(22-10-6-19-7-11-22)16-14-20-8-12-23(16)13-9-21-17(24)25-18(2,3)4/h15-16,19-20H,5-14H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate has a molecular weight of 355.53 g/mol, XLogP of 0.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(1-piperazin-1-ylpropyl)piperazin-1-yl]ethyl]carbamate is sourced from PubChem (CID 155392088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).