[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C18H24N2O4S — CID 91956582

IUPAC[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C(=O)C3CCCO3)CC2)sc2c1CCC2
InChIInChI=1S/C18H24N2O4S/c1-23-15-12-4-2-6-14(12)25-16(15)18(22)20-9-7-19(8-10-20)17(21)13-5-3-11-24-13/h13H,2-11H2,1H3
InChIKeyYBHIKBVAJRCLBL-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.71
Rot. Bonds3

About [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 91956582) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID91956582
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCOc1c(C(=O)N2CCN(C(=O)C3CCCO3)CC2)sc2c1CCC2
InChIInChI=1S/C18H24N2O4S/c1-23-15-12-4-2-6-14(12)25-16(15)18(22)20-9-7-19(8-10-20)17(21)13-5-3-11-24-13/h13H,2-11H2,1H3
InChIKeyYBHIKBVAJRCLBL-UHFFFAOYSA-N
XLogP1.71
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91956479
[4-(4-methoxy-2,3,5-trimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801177
[4-(4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 1246967
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 6976204
3-methoxy-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 91956438
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
2-[[2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 9209065
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
[4-(5-methoxy-1,3-dimethylpyrazole-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 164636981
2-methoxy-1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]ethanone
CID 94150662
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 91956582) is [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is COc1c(C(=O)N2CCN(C(=O)C3CCCO3)CC2)sc2c1CCC2.
What is the InChIKey of [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YBHIKBVAJRCLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-23-15-12-4-2-6-14(12)25-16(15)18(22)20-9-7-19(8-10-20)17(21)13-5-3-11-24-13/h13H,2-11H2,1H3.
What are the key properties of [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 91956582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).