[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

C18H19ClN2O3S — CID 6976204

IUPAC[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m1/s1
InChIKeyAMHBURGLRFZZQF-CYBMUJFWSA-N
MW378.88 g/mol
LogP3.02
Rot. Bonds2

About [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 6976204) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID6976204
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m1/s1
InChIKeyAMHBURGLRFZZQF-CYBMUJFWSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone with MolForge

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Related Compounds

[4-(3-chloro-1-benzothiophene-2-carbonyl)-1,4-diazepan-1-yl]-(3-chloro-1-benzothiophen-2-yl)methanone
CID 1000910
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
[1-(3-chloro-1-benzothiophene-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41309789
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
(3-chloro-1-benzothiophen-2-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43403203
3-chloro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246039
3-chloro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-1-benzothiophene-2-carboxamide
CID 1246036
3-chloro-N-[1-(oxolan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 2970842
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
1-[4-[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]phenyl]ethanone
CID 1245042
(3-chloro-1-benzothiophen-2-yl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 889572

Frequently Asked Questions

What is the IUPAC name of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 6976204) is [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is AMHBURGLRFZZQF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c19-15-12-4-1-2-6-14(12)25-16(15)18(23)21-9-7-20(8-10-21)17(22)13-5-3-11-24-13/h1-2,4,6,13H,3,5,7-11H2/t13-/m1/s1.
What are the key properties of [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 378.88 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 6976204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).