N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

C22H23ClN4O2 — CID 53152433

IUPACN-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c23-19-9-5-4-8-18(19)21-25-22(29-26-21)17-10-12-27(13-11-17)15-20(28)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28)
InChIKeyWVBQSSRKXOGJGC-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.89
Rot. Bonds6

About N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide

N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (PubChem CID 53152433) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
PubChem CID53152433
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccccc1
InChIInChI=1S/C22H23ClN4O2/c23-19-9-5-4-8-18(19)21-25-22(29-26-21)17-10-12-27(13-11-17)15-20(28)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28)
InChIKeyWVBQSSRKXOGJGC-UHFFFAOYSA-N
XLogP3.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 53152435
[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-2-yl)methanone
CID 648228
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
N-(2-methylphenyl)-2-[4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53152298
2-(4-benzoylpiperidin-1-yl)-N-benzylacetamide
CID 26037570
N-benzyl-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 50769544
1-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 91888620
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38154883
(2R)-N-benzyl-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301605
[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 91888614
2-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 86881982
N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 86889648

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide (CID 53152433) is N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is O=C(CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
The InChIKey is WVBQSSRKXOGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c23-19-9-5-4-8-18(19)21-25-22(29-26-21)17-10-12-27(13-11-17)15-20(28)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,24,28).
What are the key properties of N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide?
N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide has a molecular weight of 410.91 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 53152433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).