tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

C18H30N4O4 — CID 110612163

IUPACtert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1nnc(C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC2)o1
InChIInChI=1S/C18H30N4O4/c1-11(2)14(19-17(24)26-18(4,5)6)16(23)22-9-7-13(8-10-22)15-21-20-12(3)25-15/h11,13-14H,7-10H2,1-6H3,(H,19,24)
InChIKeySCQJXMXOBPGUKE-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.63
Rot. Bonds4

About tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate

tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (PubChem CID 110612163) has the molecular formula C18H30N4O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
PubChem CID110612163
Molecular FormulaC18H30N4O4
Molecular Weight366.46 g/mol
Exact Mass366.23
IUPAC Nametert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
SMILESCc1nnc(C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC2)o1
InChIInChI=1S/C18H30N4O4/c1-11(2)14(19-17(24)26-18(4,5)6)16(23)22-9-7-13(8-10-22)15-21-20-12(3)25-15/h11,13-14H,7-10H2,1-6H3,(H,19,24)
InChIKeySCQJXMXOBPGUKE-UHFFFAOYSA-N
XLogP2.63
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate (CID 110612163) is tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is Cc1nnc(C2CCN(C(=O)C(NC(=O)OC(C)(C)C)C(C)C)CC2)o1.
What is the InChIKey of tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
The InChIKey is SCQJXMXOBPGUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4/c1-11(2)14(19-17(24)26-18(4,5)6)16(23)22-9-7-13(8-10-22)15-21-20-12(3)25-15/h11,13-14H,7-10H2,1-6H3,(H,19,24).
What are the key properties of tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate?
tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 110612163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).