N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide

C17H28N4O3 — CID 166600679

IUPACN-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2nnc(C3CCOC3)o2)C1
InChIInChI=1S/C17H28N4O3/c1-17(2,3)18-15(22)12-5-4-7-21(9-12)10-14-19-20-16(24-14)13-6-8-23-11-13/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyNTTQFMUDBMUWLG-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.70
Rot. Bonds4

About N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide

N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 166600679) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
PubChem CID166600679
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN(Cc2nnc(C3CCOC3)o2)C1
InChIInChI=1S/C17H28N4O3/c1-17(2,3)18-15(22)12-5-4-7-21(9-12)10-14-19-20-16(24-14)13-6-8-23-11-13/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyNTTQFMUDBMUWLG-UHFFFAOYSA-N
XLogP1.70
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide (CID 166600679) is N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is CC(C)(C)NC(=O)C1CCCN(Cc2nnc(C3CCOC3)o2)C1.
What is the InChIKey of N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is NTTQFMUDBMUWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-17(2,3)18-15(22)12-5-4-7-21(9-12)10-14-19-20-16(24-14)13-6-8-23-11-13/h12-13H,4-11H2,1-3H3,(H,18,22).
What are the key properties of N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide?
N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[5-(oxolan-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 166600679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).