N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

C22H23FN4O3 — CID 53166963

IUPACN-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)o2)cc1
InChIInChI=1S/C22H23FN4O3/c1-29-19-7-5-17(6-8-19)21-25-26-22(30-21)27-11-9-16(10-12-27)20(28)24-14-15-3-2-4-18(23)13-15/h2-8,13,16H,9-12,14H2,1H3,(H,24,28)
InChIKeyAFRCKZLNUUPWBN-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.42
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide

N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166963) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166963
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC NameN-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)o2)cc1
InChIInChI=1S/C22H23FN4O3/c1-29-19-7-5-17(6-8-19)21-25-26-22(30-21)27-11-9-16(10-12-27)20(28)24-14-15-3-2-4-18(23)13-15/h2-8,13,16H,9-12,14H2,1H3,(H,24,28)
InChIKeyAFRCKZLNUUPWBN-UHFFFAOYSA-N
XLogP3.42
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166963) is N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cccc(F)c4)CC3)o2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is AFRCKZLNUUPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-29-19-7-5-17(6-8-19)21-25-26-22(30-21)27-11-9-16(10-12-27)20(28)24-14-15-3-2-4-18(23)13-15/h2-8,13,16H,9-12,14H2,1H3,(H,24,28).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).