N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide

C24H29FN4O2 — CID 87903544

IUPACN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)C(C)C2=NO
InChIInChI=1S/C24H29FN4O2/c1-16-24(27-31)22-8-7-20(26-17(2)30)15-23(22)29(16)21-10-13-28(14-11-21)12-9-18-3-5-19(25)6-4-18/h3-8,15-16,21,31H,9-14H2,1-2H3,(H,26,30)
InChIKeyQNOUNHBLNJXRQL-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.88
Rot. Bonds5

About N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide

N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide (PubChem CID 87903544) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
PubChem CID87903544
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC NameN-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)C(C)C2=NO
InChIInChI=1S/C24H29FN4O2/c1-16-24(27-31)22-8-7-20(26-17(2)30)15-23(22)29(16)21-10-13-28(14-11-21)12-9-18-3-5-19(25)6-4-18/h3-8,15-16,21,31H,9-14H2,1-2H3,(H,26,30)
InChIKeyQNOUNHBLNJXRQL-UHFFFAOYSA-N
XLogP3.88
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-cyano-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindol-6-yl]acetamide
CID 22037937
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010
1-[2-(4-fluorophenyl)ethyl]-4-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 84589032
N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
CID 60575256
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-3-hydroxypropanamide
CID 174391488
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-methylindol-6-yl]-2-piperidin-1-ylacetamide
CID 175234272
1-(1,3-benzodioxol-5-yl)-3-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]urea
CID 22430469
methyl 4-[[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]amino]benzoate
CID 113109144
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methyl]butanamide
CID 22038292
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]-N-propylacetamide
CID 22038241
1-(4-fluorophenyl)-2-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]ethanone
CID 10360079
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 111229102

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide?
The IUPAC name of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide (CID 87903544) is N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide.
What is the SMILES notation for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide?
The canonical SMILES for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)C(C)C2=NO.
What is the InChIKey of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide?
The InChIKey is QNOUNHBLNJXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-16-24(27-31)22-8-7-20(26-17(2)30)15-23(22)29(16)21-10-13-28(14-11-21)12-9-18-3-5-19(25)6-4-18/h3-8,15-16,21,31H,9-14H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide?
N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide has a molecular weight of 424.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-3-hydroxyimino-2-methyl-2H-indol-6-yl]acetamide is sourced from PubChem (CID 87903544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).