N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

C19H23FN4O3 — CID 24819249

IUPACN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)no1
InChIInChI=1S/C19H23FN4O3/c1-3-17-21-16(22-27-17)12-23(2)19(26)14-7-8-18(25)24(11-14)10-13-5-4-6-15(20)9-13/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeyHDLHTIBJFKIVOV-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.17
Rot. Bonds6

About N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide

N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 24819249) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID24819249
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCc1nc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)no1
InChIInChI=1S/C19H23FN4O3/c1-3-17-21-16(22-27-17)12-23(2)19(26)14-7-8-18(25)24(11-14)10-13-5-4-6-15(20)9-13/h4-6,9,14H,3,7-8,10-12H2,1-2H3
InChIKeyHDLHTIBJFKIVOV-UHFFFAOYSA-N
XLogP2.17
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide (CID 24819249) is N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is CCc1nc(CN(C)C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)no1.
What is the InChIKey of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is HDLHTIBJFKIVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-3-17-21-16(22-27-17)12-23(2)19(26)14-7-8-18(25)24(11-14)10-13-5-4-6-15(20)9-13/h4-6,9,14H,3,7-8,10-12H2,1-2H3.
What are the key properties of N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide?
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24819249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).