2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile

C22H19Cl2N3O — CID 146493692

IUPAC2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCCCC4)c3Cl)cc2c1
InChIInChI=1S/C22H19Cl2N3O/c23-19-6-5-17(22(28)27-8-2-1-3-9-27)21(24)18(19)12-16-11-15-10-14(13-25)4-7-20(15)26-16/h4-7,10-11,26H,1-3,8-9,12H2
InChIKeyVGMYKEPBPCKSDY-UHFFFAOYSA-N
MW412.32 g/mol
LogP5.56
Rot. Bonds3

About 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile

2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile (PubChem CID 146493692) has the molecular formula C22H19Cl2N3O and a molecular weight of 412.32 g/mol. Its IUPAC name is 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile.

Molecular Properties

Compound Name2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile
PubChem CID146493692
Molecular FormulaC22H19Cl2N3O
Molecular Weight412.32 g/mol
Exact Mass411.09
IUPAC Name2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCCCC4)c3Cl)cc2c1
InChIInChI=1S/C22H19Cl2N3O/c23-19-6-5-17(22(28)27-8-2-1-3-9-27)21(24)18(19)12-16-11-15-10-14(13-25)4-7-20(15)26-16/h4-7,10-11,26H,1-3,8-9,12H2
InChIKeyVGMYKEPBPCKSDY-UHFFFAOYSA-N
XLogP5.56
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.32
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,4-dichloro-3-[(5-ethynyl-1-methylindol-2-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 162228980
2-(5-cyano-1H-indol-2-yl)acetic acid
CID 131305080
2-[[2,6-dichloro-3-(4-cyclobutylpiperidine-1-carbonyl)phenyl]methyl]-3,7-dimethylbenzimidazole-5-carbonitrile
CID 159126625
2-(3-chloropropyl)-1H-indole-5-carbonitrile
CID 174373716
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
2-[(2,6-dichlorophenyl)methyl]-5-(piperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 70734474
(4-ethynyl-2-methylphenyl)-pyrrolidin-1-ylmethanone
CID 87085173
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
2-[(5-methoxy-7-methyl-1H-indol-4-yl)methyl]-1H-indole-5-carbonitrile
CID 141393467
1-[[2,6-dichloro-3-[4-(2-hydroxyprop-2-enyl)piperidine-1-carbonyl]phenyl]methyl]-3,7-dimethylindole-5-carbonitrile
CID 160900415
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1H-benzimidazole-5-carbonitrile
CID 104714634

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile?
The IUPAC name of 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile (CID 146493692) is 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile.
What is the SMILES notation for 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile?
The canonical SMILES for 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile is N#Cc1ccc2[nH]c(Cc3c(Cl)ccc(C(=O)N4CCCCC4)c3Cl)cc2c1.
What is the InChIKey of 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile?
The InChIKey is VGMYKEPBPCKSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N3O/c23-19-6-5-17(22(28)27-8-2-1-3-9-27)21(24)18(19)12-16-11-15-10-14(13-25)4-7-20(15)26-16/h4-7,10-11,26H,1-3,8-9,12H2.
What are the key properties of 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile?
2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile has a molecular weight of 412.32 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-3-(piperidine-1-carbonyl)phenyl]methyl]-1H-indole-5-carbonitrile is sourced from PubChem (CID 146493692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).