1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide

C21H22N4O4S — CID 42053906

IUPAC1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1occc1-c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C21H22N4O4S/c1-14-17(9-12-28-14)20-23-24-21(29-20)30-13-18(26)25-10-7-15(8-11-25)19(27)22-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyWRGBLKBUKLSITP-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.61
Rot. Bonds6

About 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 42053906) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID42053906
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1occc1-c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C21H22N4O4S/c1-14-17(9-12-28-14)20-23-24-21(29-20)30-13-18(26)25-10-7-15(8-11-25)19(27)22-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,27)
InChIKeyWRGBLKBUKLSITP-UHFFFAOYSA-N
XLogP3.61
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide with MolForge

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Related Compounds

2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112786034
N-phenyl-1-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-4-carboxamide
CID 47015830
(3R)-1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 9404693
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 9404785
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2126916
1-[4-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]piperidin-1-yl]-2-phenoxyethanone
CID 146396084
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 6473393
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 7835317
methyl 1-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]piperidine-4-carboxylate
CID 9364448
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 7835315
2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methylphenyl)acetamide
CID 5030464
N-phenyl-1-[2-(1,3,4-thiadiazol-2-ylsulfanyl)acetyl]piperidine-4-carboxamide
CID 42041834

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide (CID 42053906) is 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide is Cc1occc1-c1nnc(SCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is WRGBLKBUKLSITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-17(9-12-28-14)20-23-24-21(29-20)30-13-18(26)25-10-7-15(8-11-25)19(27)22-16-5-3-2-4-6-16/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,22,27).
What are the key properties of 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 42053906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).