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

C22H22ClFN4O3 — CID 53166999

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)c(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C22H22ClFN4O3/c1-30-17-5-3-16(4-6-17)21-26-27-22(31-21)28-10-8-15(9-11-28)20(29)25-13-14-2-7-19(24)18(23)12-14/h2-7,12,15H,8-11,13H2,1H3,(H,25,29)
InChIKeyQYHKMOKOHKAMSN-UHFFFAOYSA-N
MW444.89 g/mol
LogP4.07
Rot. Bonds6

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

N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (PubChem CID 53166999) has the molecular formula C22H22ClFN4O3 and a molecular weight of 444.89 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
PubChem CID53166999
Molecular FormulaC22H22ClFN4O3
Molecular Weight444.89 g/mol
Exact Mass444.14
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)c(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C22H22ClFN4O3/c1-30-17-5-3-16(4-6-17)21-26-27-22(31-21)28-10-8-15(9-11-28)20(29)25-13-14-2-7-19(24)18(23)12-14/h2-7,12,15H,8-11,13H2,1H3,(H,25,29)
InChIKeyQYHKMOKOHKAMSN-UHFFFAOYSA-N
XLogP4.07
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.89
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpiperidine-4-carboxamide
CID 83275073
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53167001
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 53166965
N-[(3-ethoxyphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide
CID 53166959
N-[(4-ethylphenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166866
N-[(4-bromophenyl)methyl]-1-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-4-carboxamide
CID 53166857
1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 95101565
2-[4-[(4-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 134698273
1-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 133341587
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
(3S)-1-(3-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29094847
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 30362082

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide (CID 53166999) is N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nnc(N3CCC(C(=O)NCc4ccc(F)c(Cl)c4)CC3)o2)cc1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is QYHKMOKOHKAMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClFN4O3/c1-30-17-5-3-16(4-6-17)21-26-27-22(31-21)28-10-8-15(9-11-28)20(29)25-13-14-2-7-19(24)18(23)12-14/h2-7,12,15H,8-11,13H2,1H3,(H,25,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 444.89 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53166999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).