tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

C19H34N4O3 — CID 55995295

IUPACtert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCc1nnc(C(C)N2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)o1
InChIInChI=1S/C19H34N4O3/c1-13(2)23(18(24)26-19(5,6)7)12-16-9-8-10-22(11-16)14(3)17-21-20-15(4)25-17/h13-14,16H,8-12H2,1-7H3
InChIKeyUGHZWAMQDXFNEN-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.80
Rot. Bonds5

About tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate

tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (PubChem CID 55995295) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
PubChem CID55995295
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Nametert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
SMILESCc1nnc(C(C)N2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)o1
InChIInChI=1S/C19H34N4O3/c1-13(2)23(18(24)26-19(5,6)7)12-16-9-8-10-22(11-16)14(3)17-21-20-15(4)25-17/h13-14,16H,8-12H2,1-7H3
InChIKeyUGHZWAMQDXFNEN-UHFFFAOYSA-N
XLogP3.80
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate (CID 55995295) is tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is Cc1nnc(C(C)N2CCCC(CN(C(=O)OC(C)(C)C)C(C)C)C2)o1.
What is the InChIKey of tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
The InChIKey is UGHZWAMQDXFNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-13(2)23(18(24)26-19(5,6)7)12-16-9-8-10-22(11-16)14(3)17-21-20-15(4)25-17/h13-14,16H,8-12H2,1-7H3.
What are the key properties of tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate?
tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate has a molecular weight of 366.51 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 55995295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).