2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone

C22H19ClF2N2O2 — CID 141166813

IUPAC2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cn1cc(C(=O)N2CCCCC2)c2ccc(Cl)cc21)c1cc(F)cc(F)c1
InChIInChI=1S/C22H19ClF2N2O2/c23-15-4-5-18-19(22(29)26-6-2-1-3-7-26)12-27(20(18)10-15)13-21(28)14-8-16(24)11-17(25)9-14/h4-5,8-12H,1-3,6-7,13H2
InChIKeyKUQFSWQZZMMHQY-UHFFFAOYSA-N
MW416.86 g/mol
LogP5.08
Rot. Bonds4

About 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone

2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone (PubChem CID 141166813) has the molecular formula C22H19ClF2N2O2 and a molecular weight of 416.86 g/mol. Its IUPAC name is 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
PubChem CID141166813
Molecular FormulaC22H19ClF2N2O2
Molecular Weight416.86 g/mol
Exact Mass416.11
IUPAC Name2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone
SMILESO=C(Cn1cc(C(=O)N2CCCCC2)c2ccc(Cl)cc21)c1cc(F)cc(F)c1
InChIInChI=1S/C22H19ClF2N2O2/c23-15-4-5-18-19(22(29)26-6-2-1-3-7-26)12-27(20(18)10-15)13-21(28)14-8-16(24)11-17(25)9-14/h4-5,8-12H,1-3,6-7,13H2
InChIKeyKUQFSWQZZMMHQY-UHFFFAOYSA-N
XLogP5.08
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.86
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-chloro-3-(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-carbonyl)indol-1-yl]-1-(3,4-difluorophenyl)ethanone
CID 15952413
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
N-(2-aminoethyl)-2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetamide
CID 59429610
2-[6-chloro-3-[4-(2-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]indol-1-yl]-N-methylacetamide
CID 59429679
[1-[(2S)-2-aminopropyl]-6-chloroindol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 46898555
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
2-[6-chloro-3-[4-(2-fluorophenyl)piperidine-1-carbonyl]indol-1-yl]acetaldehyde;hydrochloride
CID 87470632
[6-chloro-1-(2-pyridin-4-ylethyl)indol-3-yl]-[4-(4-fluoro-2-prop-1-en-2-ylphenyl)-4-methylpiperidin-1-yl]methanone
CID 70319943
1'-[6-chloro-1-(2-morpholin-4-yl-2-oxoethyl)indole-3-carbonyl]-6-fluorospiro[2-benzofuran-3,4'-piperidine]-1-one
CID 59657615
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963
prop-1-en-2-yl 2-[6-chloro-3-(5-fluoro-3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-carbonyl)indol-1-yl]acetate
CID 89379489
2-[6-chloro-3-[4-[2-(trifluoromethoxy)phenyl]piperidine-1-carbonyl]indol-1-yl]acetic acid
CID 66744454

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone?
The IUPAC name of 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone (CID 141166813) is 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone.
What is the SMILES notation for 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone?
The canonical SMILES for 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone is O=C(Cn1cc(C(=O)N2CCCCC2)c2ccc(Cl)cc21)c1cc(F)cc(F)c1.
What is the InChIKey of 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone?
The InChIKey is KUQFSWQZZMMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O2/c23-15-4-5-18-19(22(29)26-6-2-1-3-7-26)12-27(20(18)10-15)13-21(28)14-8-16(24)11-17(25)9-14/h4-5,8-12H,1-3,6-7,13H2.
What are the key properties of 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone?
2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone has a molecular weight of 416.86 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(piperidine-1-carbonyl)indol-1-yl]-1-(3,5-difluorophenyl)ethanone is sourced from PubChem (CID 141166813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).