N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide

C17H30N4O3 — CID 111578595

IUPACN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CCN(CC(O)CNC(=O)CCc2nnc(C(C)C)o2)CC1
InChIInChI=1S/C17H30N4O3/c1-12(2)17-20-19-16(24-17)5-4-15(23)18-10-14(22)11-21-8-6-13(3)7-9-21/h12-14,22H,4-11H2,1-3H3,(H,18,23)
InChIKeyMOQRPKMPUJPMPZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.33
Rot. Bonds8

About N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide

N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 111578595) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID111578595
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC NameN-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC1CCN(CC(O)CNC(=O)CCc2nnc(C(C)C)o2)CC1
InChIInChI=1S/C17H30N4O3/c1-12(2)17-20-19-16(24-17)5-4-15(23)18-10-14(22)11-21-8-6-13(3)7-9-21/h12-14,22H,4-11H2,1-3H3,(H,18,23)
InChIKeyMOQRPKMPUJPMPZ-UHFFFAOYSA-N
XLogP1.33
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 111578595) is N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide is CC1CCN(CC(O)CNC(=O)CCc2nnc(C(C)C)o2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is MOQRPKMPUJPMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-12(2)17-20-19-16(24-17)5-4-15(23)18-10-14(22)11-21-8-6-13(3)7-9-21/h12-14,22H,4-11H2,1-3H3,(H,18,23).
What are the key properties of N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide?
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 111578595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).