N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

C23H25FN4O2 — CID 146296948

IUPACN-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(F)cn4C)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)14-27-9-11-28(12-10-27)23(30)22(29)25-18-7-8-21-19(13-18)20(24)15-26(21)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyYBNNEUVNSBOAPO-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.91
Rot. Bonds3

About N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 146296948) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID146296948
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(F)cn4C)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)14-27-9-11-28(12-10-27)23(30)22(29)25-18-7-8-21-19(13-18)20(24)15-26(21)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyYBNNEUVNSBOAPO-UHFFFAOYSA-N
XLogP2.91
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dihydro-5-methyl-N-3-pyridinylbenzo(1,2-b:4,5-b')dipyrrole-1(2H)-carboxamide
CID 5163
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CID 9908587
3-Acetamido-9-ethylcarbazole
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SB 200646 hydrochloride
CID 5311422
N-(1-Methyl-1H-indol-5-yl)-N'-3-pyridinylurea
CID 126769
(2S)-N-(cyanomethyl)-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(1H-indol-4-yl)phenyl]ethyl]amino]pentanamide
CID 10310362
1-(4-Fluorophenyl)-3-[1-[2-(2-oxo-1-imidazolidinyl)ethyl]-4-piperidinyl]-1H-indole
CID 11742071
1-(2-{4-[1-(4-Fluoro-phenyl)-6-methyl-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 11742887
1-(2-{4-[5-Fluoro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-piperidin-1-yl}-ethyl)-imidazolidin-2-one
CID 15006455
(E)-N-[5-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]pentyl]-3-pyridin-3-ylprop-2-enamide
CID 132942960
(E)-N-[7-[4-[[2-(1H-indol-3-yl)ethyl-propan-2-ylamino]methyl]phenyl]heptyl]-3-pyridin-3-ylprop-2-enamide
CID 145100143
3-(3-methyl-1H-indol-1-yl)-N-(4-morpholinophenyl)propanamide
CID 2810627

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (CID 146296948) is N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc4c(c3)c(F)cn4C)CC2)cc1.
What is the InChIKey of N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is YBNNEUVNSBOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)14-27-9-11-28(12-10-27)23(30)22(29)25-18-7-8-21-19(13-18)20(24)15-26(21)2/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide has a molecular weight of 408.48 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 146296948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).