N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

C18H22ClFN4O2 — CID 121116640

IUPACN-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)c1nnc(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)o1
InChIInChI=1S/C18H22ClFN4O2/c1-11(2)17-22-23-18(26-17)12-5-7-24(8-6-12)10-16(25)21-13-3-4-15(20)14(19)9-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,21,25)
InChIKeyBJSLWIXHPOCJAW-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.80
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 121116640) has the molecular formula C18H22ClFN4O2 and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
PubChem CID121116640
Molecular FormulaC18H22ClFN4O2
Molecular Weight380.85 g/mol
Exact Mass380.14
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
SMILESCC(C)c1nnc(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)o1
InChIInChI=1S/C18H22ClFN4O2/c1-11(2)17-22-23-18(26-17)12-5-7-24(8-6-12)10-16(25)21-13-3-4-15(20)14(19)9-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,21,25)
InChIKeyBJSLWIXHPOCJAW-UHFFFAOYSA-N
XLogP3.80
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90542162
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CID 119907508
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 8904218
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 81497379
N-(3-chloro-4-fluorophenyl)-2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 121118010
2-(3-aminopyrrolidin-1-yl)-N-(3-chloro-4-fluorophenyl)acetamide;hydrochloride
CID 119917629
N-(3-chloro-4-fluorophenyl)-2-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]acetamide
CID 2040641
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 78900883
N-(3-chloro-4-fluorophenyl)-2-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90495502
N-(3-chloro-4-fluorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495307
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide (CID 121116640) is N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is CC(C)c1nnc(C2CCN(CC(=O)Nc3ccc(F)c(Cl)c3)CC2)o1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is BJSLWIXHPOCJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN4O2/c1-11(2)17-22-23-18(26-17)12-5-7-24(8-6-12)10-16(25)21-13-3-4-15(20)14(19)9-13/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 380.85 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 121116640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).