N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

C19H32N4O2 — CID 56738478

IUPACN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC1(C)CC(N2CCC(CNC(=O)c3ccon3)CC2)CC(C)(C)N1
InChIInChI=1S/C19H32N4O2/c1-18(2)11-15(12-19(3,4)22-18)23-8-5-14(6-9-23)13-20-17(24)16-7-10-25-21-16/h7,10,14-15,22H,5-6,8-9,11-13H2,1-4H3,(H,20,24)
InChIKeyPSPXCNHOBPMGDA-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.43
Rot. Bonds4

About N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide

N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 56738478) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
PubChem CID56738478
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
SMILESCC1(C)CC(N2CCC(CNC(=O)c3ccon3)CC2)CC(C)(C)N1
InChIInChI=1S/C19H32N4O2/c1-18(2)11-15(12-19(3,4)22-18)23-8-5-14(6-9-23)13-20-17(24)16-7-10-25-21-16/h7,10,14-15,22H,5-6,8-9,11-13H2,1-4H3,(H,20,24)
InChIKeyPSPXCNHOBPMGDA-UHFFFAOYSA-N
XLogP2.43
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide (CID 56738478) is N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is CC1(C)CC(N2CCC(CNC(=O)c3ccon3)CC2)CC(C)(C)N1.
What is the InChIKey of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is PSPXCNHOBPMGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-18(2)11-15(12-19(3,4)22-18)23-8-5-14(6-9-23)13-20-17(24)16-7-10-25-21-16/h7,10,14-15,22H,5-6,8-9,11-13H2,1-4H3,(H,20,24).
What are the key properties of N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide?
N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56738478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).