N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

C17H19ClF2N4O3 — CID 60565277

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1noc(C2CCCN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C2)n1
InChIInChI=1S/C17H19ClF2N4O3/c1-10-21-16(27-23-10)11-3-2-6-24(8-11)9-15(25)22-12-4-5-14(13(18)7-12)26-17(19)20/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,22,25)
InChIKeyPEAAOSTWSNRGFV-UHFFFAOYSA-N
MW400.81 g/mol
LogP3.45
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 60565277) has the molecular formula C17H19ClF2N4O3 and a molecular weight of 400.81 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
PubChem CID60565277
Molecular FormulaC17H19ClF2N4O3
Molecular Weight400.81 g/mol
Exact Mass400.11
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
SMILESCc1noc(C2CCCN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C2)n1
InChIInChI=1S/C17H19ClF2N4O3/c1-10-21-16(27-23-10)11-3-2-6-24(8-11)9-15(25)22-12-4-5-14(13(18)7-12)26-17(19)20/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,22,25)
InChIKeyPEAAOSTWSNRGFV-UHFFFAOYSA-N
XLogP3.45
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 134055274
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-piperazin-1-ylacetamide
CID 61259459
(3S,4S)-1-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120951
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(4-methylphenyl)acetamide
CID 60568381
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 112801340
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 86827343
[2-(difluoromethoxy)phenyl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51087839
4-[2-[3-chloro-4-(difluoromethoxy)anilino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 55649112
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 55995705
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110880942
N-(4-chlorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoacetamide
CID 60573731
[2-[4-(difluoromethoxy)anilino]phenyl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95585620

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide (CID 60565277) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is Cc1noc(C2CCCN(CC(=O)Nc3ccc(OC(F)F)c(Cl)c3)C2)n1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is PEAAOSTWSNRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClF2N4O3/c1-10-21-16(27-23-10)11-3-2-6-24(8-11)9-15(25)22-12-4-5-14(13(18)7-12)26-17(19)20/h4-5,7,11,17H,2-3,6,8-9H2,1H3,(H,22,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 400.81 g/mol, XLogP of 3.45, 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-(difluoromethoxy)phenyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 60565277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).