[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

C19H23N3O3S — CID 95718120

IUPAC[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)sc2ccccc12
InChIInChI=1S/C19H23N3O3S/c1-13-14-4-2-3-5-16(14)26-17(13)19(24)22-7-6-20-12-15(22)18(23)21-8-10-25-11-9-21/h2-5,15,20H,6-12H2,1H3/t15-/m0/s1
InChIKeyVZTUOYRIHANIAK-HNNXBMFYSA-N
MW373.48 g/mol
LogP1.48
Rot. Bonds2

About [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 95718120) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
PubChem CID95718120
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)sc2ccccc12
InChIInChI=1S/C19H23N3O3S/c1-13-14-4-2-3-5-16(14)26-17(13)19(24)22-7-6-20-12-15(22)18(23)21-8-10-25-11-9-21/h2-5,15,20H,6-12H2,1H3/t15-/m0/s1
InChIKeyVZTUOYRIHANIAK-HNNXBMFYSA-N
XLogP1.48
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone (CID 95718120) is [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCNC[C@H]2C(=O)N2CCOCC2)sc2ccccc12.
What is the InChIKey of [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is VZTUOYRIHANIAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13-14-4-2-3-5-16(14)26-17(13)19(24)22-7-6-20-12-15(22)18(23)21-8-10-25-11-9-21/h2-5,15,20H,6-12H2,1H3/t15-/m0/s1.
What are the key properties of [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 373.48 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95718120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).