N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

C23H25FN4O2 — CID 164615988

IUPACN-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3cc4ccn(C)c4cc3F)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)15-27-9-11-28(12-10-27)23(30)22(29)25-20-13-18-7-8-26(2)21(18)14-19(20)24/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyOFGFRLZEVYDOSA-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.91
Rot. Bonds3

About N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide

N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (PubChem CID 164615988) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
PubChem CID164615988
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide
SMILESCc1ccc(CN2CCN(C(=O)C(=O)Nc3cc4ccn(C)c4cc3F)CC2)cc1
InChIInChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)15-27-9-11-28(12-10-27)23(30)22(29)25-20-13-18-7-8-26(2)21(18)14-19(20)24/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)
InChIKeyOFGFRLZEVYDOSA-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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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide (CID 164615988) is N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is Cc1ccc(CN2CCN(C(=O)C(=O)Nc3cc4ccn(C)c4cc3F)CC2)cc1.
What is the InChIKey of N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
The InChIKey is OFGFRLZEVYDOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-16-3-5-17(6-4-16)15-27-9-11-28(12-10-27)23(30)22(29)25-20-13-18-7-8-26(2)21(18)14-19(20)24/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29).
What are the key properties of N-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide?
N-(6-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-(6-fluoro-1-methylindol-5-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164615988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).