5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

C16H19N3O2S — CID 56818669

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-10-17-15(21-18-10)11-5-7-19(8-6-11)16(20)14-9-12-3-2-4-13(12)22-14/h9,11H,2-8H2,1H3
InChIKeyVDJXEBYMNWXJMG-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.95
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (PubChem CID 56818669) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
PubChem CID56818669
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
SMILESCc1noc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1
InChIInChI=1S/C16H19N3O2S/c1-10-17-15(21-18-10)11-5-7-19(8-6-11)16(20)14-9-12-3-2-4-13(12)22-14/h9,11H,2-8H2,1H3
InChIKeyVDJXEBYMNWXJMG-UHFFFAOYSA-N
XLogP2.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 9203907
[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 97010556
(5-chlorothiophen-2-yl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136577922
(4-bromo-5-methylthiophen-2-yl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 136548803
1-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 71899322
[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 97133718
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 43556243
[4-(bromomethyl)piperidin-1-yl]-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 80678205
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 47444332
(4-aminopiperidin-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 119376648
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 86877317

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone (CID 56818669) is 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is Cc1noc(C2CCN(C(=O)c3cc4c(s3)CCC4)CC2)n1.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is VDJXEBYMNWXJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-17-15(21-18-10)11-5-7-19(8-6-11)16(20)14-9-12-3-2-4-13(12)22-14/h9,11H,2-8H2,1H3.
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone?
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56818669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).