2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

C51H49Cl2F2N7O6 — CID 160871704

IUPAC2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(C#N)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C26H24ClFN4O3.C25H25ClFN3O3/c1-30(2)26(35)24(33)21-14-32(15-29)23-13-22(27)20(12-19(21)23)25(34)31-9-7-17(8-10-31)11-16-3-5-18(28)6-4-16;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h3-6,12-14,17H,7-11H2,1-2H3;3-6,12-14,16,28H,7-11H2,1-2H3
InChIKeySLVPJEZZMLLGKW-UHFFFAOYSA-N
MW964.90 g/mol
LogP8.45
Rot. Bonds10

About 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide

2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (PubChem CID 160871704) has the molecular formula C51H49Cl2F2N7O6 and a molecular weight of 964.90 g/mol. Its IUPAC name is 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
PubChem CID160871704
Molecular FormulaC51H49Cl2F2N7O6
Molecular Weight964.90 g/mol
Exact Mass963.31
IUPAC Name2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(C#N)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C26H24ClFN4O3.C25H25ClFN3O3/c1-30(2)26(35)24(33)21-14-32(15-29)23-13-22(27)20(12-19(21)23)25(34)31-9-7-17(8-10-31)11-16-3-5-18(28)6-4-16;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h3-6,12-14,17H,7-11H2,1-2H3;3-6,12-14,16,28H,7-11H2,1-2H3
InChIKeySLVPJEZZMLLGKW-UHFFFAOYSA-N
XLogP8.45
TPSA159.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500964.90
LogP ≤ 58.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide with MolForge

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Related Compounds

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2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 9935015
2-(6-chloro-5-(4-(4-fluorobenzyl)piperidine-1-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
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2-(6-chloro-5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 24180462
2-(6-chloro-5-((2R,5S)-4-(1-(4-fluorophenyl)ethyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 46232500
4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 117978835
4-[4-(3-chlorophenyl)piperazin-1-yl]-2-fluoro-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]benzamide
CID 117986199
2-(5-((2R,5S)-4-benzhydryl-2,5-dimethylpiperazine-1-carbonyl)-6-chloro-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 46216734
2-(5-((2R,5S)-4-(bis(4-fluorophenyl)methyl)-2,5-dimethylpiperazine-1-carbonyl)-6-chloro-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 46232501
2-(6-chloro-5-((2R,5S)-4-(cyano(4-fluorophenyl)methyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 46232540
2-(6-chloro-5-((2R,5S)-4-(1-cyano-1-(4-fluorophenyl)ethyl)-2,5-dimethylpiperazine-1-carbonyl)-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 46232541

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide (CID 160871704) is 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1c[nH]c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.CN(C)C(=O)C(=O)c1cn(C#N)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
The InChIKey is SLVPJEZZMLLGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClFN4O3.C25H25ClFN3O3/c1-30(2)26(35)24(33)21-14-32(15-29)23-13-22(27)20(12-19(21)23)25(34)31-9-7-17(8-10-31)11-16-3-5-18(28)6-4-16;1-29(2)25(33)23(31)20-14-28-22-13-21(26)19(12-18(20)22)24(32)30-9-7-16(8-10-30)11-15-3-5-17(27)6-4-15/h3-6,12-14,17H,7-11H2,1-2H3;3-6,12-14,16,28H,7-11H2,1-2H3.
What are the key properties of 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide?
2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide has a molecular weight of 964.90 g/mol, XLogP of 8.45, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-cyano-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-3-yl]-N,N-dimethyl-2-oxoacetamide;2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-3-yl]-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 160871704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).