6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one

C27H28N2O2S2 — CID 158197684

IUPAC6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2cc3ccccc3s2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C27H28N2O2S2/c30-22(24-16-21-10-13-28-18-26(21)33-24)8-3-1-2-6-19-11-14-29(15-12-19)27(31)25-17-20-7-4-5-9-23(20)32-25/h4-5,7,9-10,13,16-19H,1-3,6,8,11-12,14-15H2
InChIKeyGANQOGWBXVGYIG-UHFFFAOYSA-N
MW476.67 g/mol
LogP7.20
Rot. Bonds8

About 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one

6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one (PubChem CID 158197684) has the molecular formula C27H28N2O2S2 and a molecular weight of 476.67 g/mol. Its IUPAC name is 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one.

Molecular Properties

Compound Name6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
PubChem CID158197684
Molecular FormulaC27H28N2O2S2
Molecular Weight476.67 g/mol
Exact Mass476.16
IUPAC Name6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
SMILESO=C(CCCCCC1CCN(C(=O)c2cc3ccccc3s2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C27H28N2O2S2/c30-22(24-16-21-10-13-28-18-26(21)33-24)8-3-1-2-6-19-11-14-29(15-12-19)27(31)25-17-20-7-4-5-9-23(20)32-25/h4-5,7,9-10,13,16-19H,1-3,6,8,11-12,14-15H2
InChIKeyGANQOGWBXVGYIG-UHFFFAOYSA-N
XLogP7.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.67
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
6-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 147985860
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
N-[4-[1-(furo[2,3-c]pyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381466
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
6-(1-benzoylpiperidin-4-yl)-1-(1H-pyrrolo[3,2-c]pyridin-2-yl)hexan-1-one
CID 146900863
1,5-bis(1-benzothiophen-2-yl)pentane-1,5-dione
CID 11850792
N-[4-[1-(5-propan-2-ylpyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983527
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
1-(1-benzothiophen-2-yl)-3-(1-benzylpiperidin-4-yl)propan-1-one
CID 10155637

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The IUPAC name of 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one (CID 158197684) is 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one.
What is the SMILES notation for 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The canonical SMILES for 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one is O=C(CCCCCC1CCN(C(=O)c2cc3ccccc3s2)CC1)c1cc2ccncc2s1.
What is the InChIKey of 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
The InChIKey is GANQOGWBXVGYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2S2/c30-22(24-16-21-10-13-28-18-26(21)33-24)8-3-1-2-6-19-11-14-29(15-12-19)27(31)25-17-20-7-4-5-9-23(20)32-25/h4-5,7,9-10,13,16-19H,1-3,6,8,11-12,14-15H2.
What are the key properties of 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one?
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one has a molecular weight of 476.67 g/mol, XLogP of 7.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one is sourced from PubChem (CID 158197684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).