2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide

C23H26F2N4O3 — CID 58467672

IUPAC2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
SMILESCOc1c(F)cc(N2CCN(CC(=O)Nc3ccc4c(c3)N(C)C(=O)C4)[C@H](C)C2)cc1F
InChIInChI=1S/C23H26F2N4O3/c1-14-12-29(17-10-18(24)23(32-3)19(25)11-17)7-6-28(14)13-21(30)26-16-5-4-15-8-22(31)27(2)20(15)9-16/h4-5,9-11,14H,6-8,12-13H2,1-3H3,(H,26,30)/t14-/m1/s1
InChIKeyFKMTWPVDKBKBIS-CQSZACIVSA-N
MW444.48 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide

2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide (PubChem CID 58467672) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide.

Molecular Properties

Compound Name2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
PubChem CID58467672
Molecular FormulaC23H26F2N4O3
Molecular Weight444.48 g/mol
Exact Mass444.20
IUPAC Name2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
SMILESCOc1c(F)cc(N2CCN(CC(=O)Nc3ccc4c(c3)N(C)C(=O)C4)[C@H](C)C2)cc1F
InChIInChI=1S/C23H26F2N4O3/c1-14-12-29(17-10-18(24)23(32-3)19(25)11-17)7-6-28(14)13-21(30)26-16-5-4-15-8-22(31)27(2)20(15)9-16/h4-5,9-11,14H,6-8,12-13H2,1-3H3,(H,26,30)/t14-/m1/s1
InChIKeyFKMTWPVDKBKBIS-CQSZACIVSA-N
XLogP2.64
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-furo[3,2-b]pyridin-6-yl)acetamide
CID 58467508
2-[(3R)-4-(4-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide
CID 58467534
6-[[2-[(2R)-4-(4-chloro-3,5-difluorophenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467631
2-[(2R)-4-(4-chloro-3-fluorophenyl)-2-methylpiperazin-1-yl]-N-(2-oxo-3H-1-benzofuran-6-yl)acetamide
CID 58467666
2-[(2R)-4-(4-chlorophenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)-2-oxoacetamide
CID 58467530
6-[[2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-oxoethyl]amino]-1H-naphthalen-2-one
CID 58467448
2-[(2R)-4-(4-chloro-3-methylphenyl)-2-methylpiperazin-1-yl]-N-(6-oxo-5H-naphthalen-2-yl)acetamide
CID 58467554
2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
CID 55627394
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)amino]-4-oxobutanoate
CID 110777123
methyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
CID 40805084
2-[(3R)-4-(4-chloro-3,5-difluorophenyl)-3-methylpiperazin-1-yl]-N-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)acetamide
CID 58467599
6-[[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]amino]-1-methyl-3H-indol-2-one
CID 58467626

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The IUPAC name of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide (CID 58467672) is 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide.
What is the SMILES notation for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The canonical SMILES for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide is COc1c(F)cc(N2CCN(CC(=O)Nc3ccc4c(c3)N(C)C(=O)C4)[C@H](C)C2)cc1F.
What is the InChIKey of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
The InChIKey is FKMTWPVDKBKBIS-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-14-12-29(17-10-18(24)23(32-3)19(25)11-17)7-6-28(14)13-21(30)26-16-5-4-15-8-22(31)27(2)20(15)9-16/h4-5,9-11,14H,6-8,12-13H2,1-3H3,(H,26,30)/t14-/m1/s1.
What are the key properties of 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide?
2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide has a molecular weight of 444.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-(3,5-difluoro-4-methoxyphenyl)-2-methylpiperazin-1-yl]-N-(1-methyl-2-oxo-3H-indol-6-yl)acetamide is sourced from PubChem (CID 58467672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).