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

C22H23ClN4O2S — CID 26691415

IUPACN-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)21-25-26-22(29-21)30-15-20(28)24-19-10-12-27(13-11-19)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,28)
InChIKeySQQJBSKLJIRSRN-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.26
Rot. Bonds7

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

N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 26691415) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID26691415
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)21-25-26-22(29-21)30-15-20(28)24-19-10-12-27(13-11-19)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,28)
InChIKeySQQJBSKLJIRSRN-UHFFFAOYSA-N
XLogP4.26
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 26691415) is N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is SQQJBSKLJIRSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c23-18-8-6-17(7-9-18)21-25-26-22(29-21)30-15-20(28)24-19-10-12-27(13-11-19)14-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 442.97 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 26691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).