(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate

C16H17N3O4 — CID 55441480

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESCc1nnc(COC(=O)c2ccc(N3CCCCC3=O)cc2)o1
InChIInChI=1S/C16H17N3O4/c1-11-17-18-14(23-11)10-22-16(21)12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8H,2-4,9-10H2,1H3
InChIKeyHMOFCHZHZVKHAU-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.25
Rot. Bonds4

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate (PubChem CID 55441480) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
PubChem CID55441480
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
SMILESCc1nnc(COC(=O)c2ccc(N3CCCCC3=O)cc2)o1
InChIInChI=1S/C16H17N3O4/c1-11-17-18-14(23-11)10-22-16(21)12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8H,2-4,9-10H2,1H3
InChIKeyHMOFCHZHZVKHAU-UHFFFAOYSA-N
XLogP2.25
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-(2-oxoazepan-1-yl)benzoate
CID 168817150
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 9475876
[2-(4-ethylphenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3342322
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] 4-hydroxybenzoate
CID 8647274
N-methoxy-4-(2-oxopiperidin-1-yl)benzamide
CID 51279408
[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 18138138
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopiperidin-1-yl)benzoate
CID 55441601
(5-fluoro-2-methoxyphenyl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952819
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl] benzoate
CID 8648324
(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate
CID 9476010
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204116
[2-(4-bromophenyl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 3557850

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate (CID 55441480) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate is Cc1nnc(COC(=O)c2ccc(N3CCCCC3=O)cc2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
The InChIKey is HMOFCHZHZVKHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-11-17-18-14(23-11)10-22-16(21)12-5-7-13(8-6-12)19-9-3-2-4-15(19)20/h5-8H,2-4,9-10H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate has a molecular weight of 315.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 4-(2-oxopiperidin-1-yl)benzoate is sourced from PubChem (CID 55441480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).