N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

C18H23FN4O2S — CID 138517632

IUPACN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCN2CCC(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H23FN4O2S/c1-13-21-22-18(25-13)26-12-17(24)20-8-11-23-9-6-15(7-10-23)14-2-4-16(19)5-3-14/h2-5,15H,6-12H2,1H3,(H,20,24)
InChIKeyXDKAWQFWVACAFL-UHFFFAOYSA-N
MW378.47 g/mol
LogP2.61
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide

N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 138517632) has the molecular formula C18H23FN4O2S and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID138517632
Molecular FormulaC18H23FN4O2S
Molecular Weight378.47 g/mol
Exact Mass378.15
IUPAC NameN-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCCN2CCC(c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C18H23FN4O2S/c1-13-21-22-18(25-13)26-12-17(24)20-8-11-23-9-6-15(7-10-23)14-2-4-16(19)5-3-14/h2-5,15H,6-12H2,1H3,(H,20,24)
InChIKeyXDKAWQFWVACAFL-UHFFFAOYSA-N
XLogP2.61
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 24791231
N-[1-(2,4-difluorophenyl)ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42903005
1-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 126443325
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2-methylpropyl)acetamide
CID 9373833
N-[(4R)-1-(4-fluorophenyl)-6,6-dimethyl-5,7-dihydro-4H-indazol-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 42567424
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
CID 55851465
2-(2,3-difluorophenyl)-N-[2-(4-phenylpiperidin-1-yl)ethyl]acetamide
CID 118762611
4-methyl-N-[2-(4-phenylpiperidin-1-yl)ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 91829247
3-[[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]amino]-N-(3-methylphenyl)propanamide
CID 131901508
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 51432520

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 138517632) is N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCCN2CCC(c3ccc(F)cc3)CC2)o1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is XDKAWQFWVACAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2S/c1-13-21-22-18(25-13)26-12-17(24)20-8-11-23-9-6-15(7-10-23)14-2-4-16(19)5-3-14/h2-5,15H,6-12H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperidin-1-yl]ethyl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 138517632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).