2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide

C25H26ClFN4O3 — CID 138530050

IUPAC2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
SMILESCNNC(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C25H26ClFN4O3/c1-28-29-24(33)23(32)20-14-30(2)22-13-21(26)19(12-18(20)22)25(34)31-9-7-16(8-10-31)11-15-3-5-17(27)6-4-15/h3-6,12-14,16,28H,7-11H2,1-2H3,(H,29,33)
InChIKeyPGKHTYNXAVCHJR-UHFFFAOYSA-N
MW484.96 g/mol
LogP3.50
Rot. Bonds6

About 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide (PubChem CID 138530050) has the molecular formula C25H26ClFN4O3 and a molecular weight of 484.96 g/mol. Its IUPAC name is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide.

Molecular Properties

Compound Name2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
PubChem CID138530050
Molecular FormulaC25H26ClFN4O3
Molecular Weight484.96 g/mol
Exact Mass484.17
IUPAC Name2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
SMILESCNNC(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12
InChIInChI=1S/C25H26ClFN4O3/c1-28-29-24(33)23(32)20-14-30(2)22-13-21(26)19(12-18(20)22)25(34)31-9-7-16(8-10-31)11-15-3-5-17(27)6-4-15/h3-6,12-14,16,28H,7-11H2,1-2H3,(H,29,33)
InChIKeyPGKHTYNXAVCHJR-UHFFFAOYSA-N
XLogP3.50
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
CID 20763791
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 10239303
methyl 2-[6-chloro-3-[2-(dimethylamino)-2-oxoacetyl]-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]indol-1-yl]acetate
CID 20763812
6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-N,N-dimethyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]indole-1-carboxamide
CID 11707006
N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N-methyl-2-oxoacetamide
CID 11562294
[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 141125366
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 71179713
2-[1-amino-6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]pyrrolo[2,3-b]pyridin-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 58907983
4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337689
1-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]propane-1,2-dione
CID 58907991
2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-2-oxoacetamide
CID 59989964
6-chloro-1H-indole-5-carboxylic acid;(6-chloro-1H-indol-5-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-[(4-fluorophenyl)methyl]piperidine
CID 158886868

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide?
The IUPAC name of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide (CID 138530050) is 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide.
What is the SMILES notation for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide?
The canonical SMILES for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide is CNNC(=O)C(=O)c1cn(C)c2cc(Cl)c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12.
What is the InChIKey of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide?
The InChIKey is PGKHTYNXAVCHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3/c1-28-29-24(33)23(32)20-14-30(2)22-13-21(26)19(12-18(20)22)25(34)31-9-7-16(8-10-31)11-15-3-5-17(27)6-4-15/h3-6,12-14,16,28H,7-11H2,1-2H3,(H,29,33).
What are the key properties of 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide?
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide has a molecular weight of 484.96 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide is sourced from PubChem (CID 138530050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).