1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone

C24H27FN2OS — CID 4176600

IUPAC1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H27FN2OS/c1-2-20-10-5-6-13-27(20)24(28)17-29-23-16-26(22-12-4-3-11-21(22)23)15-18-8-7-9-19(25)14-18/h3-4,7-9,11-12,14,16,20H,2,5-6,10,13,15,17H2,1H3
InChIKeyNZXVUJVVBUNHPC-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.71
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone

1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone (PubChem CID 4176600) has the molecular formula C24H27FN2OS and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone
PubChem CID4176600
Molecular FormulaC24H27FN2OS
Molecular Weight410.56 g/mol
Exact Mass410.18
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1cn(Cc2cccc(F)c2)c2ccccc12
InChIInChI=1S/C24H27FN2OS/c1-2-20-10-5-6-13-27(20)24(28)17-29-23-16-26(22-12-4-3-11-21(22)23)15-18-8-7-9-19(25)14-18/h3-4,7-9,11-12,14,16,20H,2,5-6,10,13,15,17H2,1H3
InChIKeyNZXVUJVVBUNHPC-UHFFFAOYSA-N
XLogP5.71
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone with MolForge

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Related Compounds

2-[1-[(4-bromophenyl)methyl]indol-3-yl]sulfanyl-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 41049021
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone
CID 23794200
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-phenylethanone
CID 4141723
1-[(3-fluorophenyl)methyl]-3-[(3-fluorophenyl)methylsulfanyl]indole
CID 5077989
1-pyrrolidin-1-yl-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]sulfanylethanone
CID 178072281
2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-piperidin-1-ylethanone
CID 4548690
N-(4-bromophenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylacetamide
CID 4608403
2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-1-[5-(4-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 5146427
2-(3-benzylsulfonylindol-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 43958345
1-[(2S)-2-ethylpiperidin-1-yl]-2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylethanone
CID 7296351
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939
N-[2-[(2S)-1-[2-(1-methylindol-3-yl)sulfanylacetyl]piperidin-2-yl]ethyl]acetamide
CID 97125151

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone (CID 4176600) is 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone is CCC1CCCCN1C(=O)CSc1cn(Cc2cccc(F)c2)c2ccccc12.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone?
The InChIKey is NZXVUJVVBUNHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2OS/c1-2-20-10-5-6-13-27(20)24(28)17-29-23-16-26(22-12-4-3-11-21(22)23)15-18-8-7-9-19(25)14-18/h3-4,7-9,11-12,14,16,20H,2,5-6,10,13,15,17H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone?
1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone has a molecular weight of 410.56 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone is sourced from PubChem (CID 4176600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).