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

C22H22F2N4O3 — CID 53166971

IUPACN-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4cc(F)ccc4F)CC3)o2)cc1
InChIInChI=1S/C22H22F2N4O3/c1-30-18-5-2-15(3-6-18)21-26-27-22(31-21)28-10-8-14(9-11-28)20(29)25-13-16-12-17(23)4-7-19(16)24/h2-7,12,14H,8-11,13H2,1H3,(H,25,29)
InChIKeySZZAGMJCVPNLJQ-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.56
Rot. Bonds6

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

N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166971) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166971
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4cc(F)ccc4F)CC3)o2)cc1
InChIInChI=1S/C22H22F2N4O3/c1-30-18-5-2-15(3-6-18)21-26-27-22(31-21)28-10-8-14(9-11-28)20(29)25-13-16-12-17(23)4-7-19(16)24/h2-7,12,14H,8-11,13H2,1H3,(H,25,29)
InChIKeySZZAGMJCVPNLJQ-UHFFFAOYSA-N
XLogP3.56
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-Dihydro-1-benzofuran-5-yl)-N-(3-fluorobenzyl)-1,3,4-oxadiazol-2-amine
CID 44590413
4-fluoro-N-(5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4686761
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
CID 146648736
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]pyrrolidin-2-one
CID 162425412
5-[4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 146511999
5-[4-[(Z)-2-(aminomethyl)-3-fluoroprop-2-enoxy]phenyl]-N-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 162369050
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 4361989
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 4425060
4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 27602480
1-Butyl-3-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]urea
CID 2101504
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4084512
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropanamide
CID 4084957

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166971) is N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCc4cc(F)ccc4F)CC3)o2)cc1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is SZZAGMJCVPNLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-30-18-5-2-15(3-6-18)21-26-27-22(31-21)28-10-8-14(9-11-28)20(29)25-13-16-12-17(23)4-7-19(16)24/h2-7,12,14H,8-11,13H2,1H3,(H,25,29).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).