tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate

C17H26N4O3 — CID 147218622

IUPACtert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)12-15(22)10-14-5-4-13(18)11-19-14/h4-5,11H,6-10,12,18H2,1-3H3
InChIKeyCGPSTDHGDBJEPH-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.33
Rot. Bonds4

About tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate

tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate (PubChem CID 147218622) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate
PubChem CID147218622
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)12-15(22)10-14-5-4-13(18)11-19-14/h4-5,11H,6-10,12,18H2,1-3H3
InChIKeyCGPSTDHGDBJEPH-UHFFFAOYSA-N
XLogP1.33
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate (CID 147218622) is tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate?
The InChIKey is CGPSTDHGDBJEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)12-15(22)10-14-5-4-13(18)11-19-14/h4-5,11H,6-10,12,18H2,1-3H3.
What are the key properties of tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.33, 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-(5-amino-2-pyridinyl)-2-oxopropyl]piperazine-1-carboxylate is sourced from PubChem (CID 147218622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).