N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide

C28H26FN3O4S — CID 90061827

IUPACN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OC1CCNCC1
InChIInChI=1S/C28H26FN3O4S/c1-35-26-14-17(8-9-25(26)36-18-10-12-30-13-11-18)28(34)31-15-24(33)23-7-3-6-22(32-23)20-16-37-27-19(20)4-2-5-21(27)29/h2-9,14,16,18,30H,10-13,15H2,1H3,(H,31,34)
InChIKeyNDXFIFRPIPZOIM-UHFFFAOYSA-N
MW519.60 g/mol
LogP4.85
Rot. Bonds8

About N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide

N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide (PubChem CID 90061827) has the molecular formula C28H26FN3O4S and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide
PubChem CID90061827
Molecular FormulaC28H26FN3O4S
Molecular Weight519.60 g/mol
Exact Mass519.16
IUPAC NameN-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OC1CCNCC1
InChIInChI=1S/C28H26FN3O4S/c1-35-26-14-17(8-9-25(26)36-18-10-12-30-13-11-18)28(34)31-15-24(33)23-7-3-6-22(32-23)20-16-37-27-19(20)4-2-5-21(27)29/h2-9,14,16,18,30H,10-13,15H2,1H3,(H,31,34)
InChIKeyNDXFIFRPIPZOIM-UHFFFAOYSA-N
XLogP4.85
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide?
The IUPAC name of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide (CID 90061827) is N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide.
What is the SMILES notation for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide?
The canonical SMILES for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide is COc1cc(C(=O)NCC(=O)c2cccc(-c3csc4c(F)cccc34)n2)ccc1OC1CCNCC1.
What is the InChIKey of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide?
The InChIKey is NDXFIFRPIPZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O4S/c1-35-26-14-17(8-9-25(26)36-18-10-12-30-13-11-18)28(34)31-15-24(33)23-7-3-6-22(32-23)20-16-37-27-19(20)4-2-5-21(27)29/h2-9,14,16,18,30H,10-13,15H2,1H3,(H,31,34).
What are the key properties of N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide?
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide has a molecular weight of 519.60 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]-3-methoxy-4-piperidin-4-yloxybenzamide is sourced from PubChem (CID 90061827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).