oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone

C18H24N2O3S — CID 2970927

IUPACoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H24N2O3S/c21-17(14-5-3-11-23-14)19-7-9-20(10-8-19)18(22)16-12-13-4-1-2-6-15(13)24-16/h12,14H,1-11H2
InChIKeyHYQJYEMHGNALNR-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.09
Rot. Bonds2

About oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone

oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 2970927) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
PubChem CID2970927
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC Nameoxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C18H24N2O3S/c21-17(14-5-3-11-23-14)19-7-9-20(10-8-19)18(22)16-12-13-4-1-2-6-15(13)24-16/h12,14H,1-11H2
InChIKeyHYQJYEMHGNALNR-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

N-(Tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191116
5-Ethyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191117
5-Methyl-N-(tetrahydro-2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17191141
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone;hydrochloride
CID 16239644
Oxolan-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2970763
N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 6602895
[4-(2-Hydroxyethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 2349442
N-[3-(4-Morpholinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2998760
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-5-methyl-N-(tetrahydro-2-furanylmethyl)-2-thiophenecarboxamide
CID 45208136
N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 17447013
[4-(3-Chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2815639
(2,6-Dimethylmorpholin-4-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 3467368

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone (CID 2970927) is oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone is O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is HYQJYEMHGNALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c21-17(14-5-3-11-23-14)19-7-9-20(10-8-19)18(22)16-12-13-4-1-2-6-15(13)24-16/h12,14H,1-11H2.
What are the key properties of oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone?
oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 348.47 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[4-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2970927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).