N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

C26H27FN4O2S — CID 3231865

IUPACN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C26H27FN4O2S/c1-17-24(29-26(34-17)28-23(32)16-30-11-3-2-4-12-30)19-8-9-22-18(14-19)10-13-31(22)25(33)20-6-5-7-21(27)15-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,28,29,32)
InChIKeyYFCLSFQDJSNAGV-UHFFFAOYSA-N
MW478.59 g/mol
LogP4.88
Rot. Bonds5

About N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide

N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (PubChem CID 3231865) has the molecular formula C26H27FN4O2S and a molecular weight of 478.59 g/mol. Its IUPAC name is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
PubChem CID3231865
Molecular FormulaC26H27FN4O2S
Molecular Weight478.59 g/mol
Exact Mass478.18
IUPAC NameN-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
SMILESCc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1
InChIInChI=1S/C26H27FN4O2S/c1-17-24(29-26(34-17)28-23(32)16-30-11-3-2-4-12-30)19-8-9-22-18(14-19)10-13-31(22)25(33)20-6-5-7-21(27)15-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,28,29,32)
InChIKeyYFCLSFQDJSNAGV-UHFFFAOYSA-N
XLogP4.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide (CID 3231865) is N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is Cc1sc(NC(=O)CN2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1.
What is the InChIKey of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
The InChIKey is YFCLSFQDJSNAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2S/c1-17-24(29-26(34-17)28-23(32)16-30-11-3-2-4-12-30)19-8-9-22-18(14-19)10-13-31(22)25(33)20-6-5-7-21(27)15-20/h5-9,14-15H,2-4,10-13,16H2,1H3,(H,28,29,32).
What are the key properties of N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide?
N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide has a molecular weight of 478.59 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluorobenzoyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 3231865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).