2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide

C18H23N3O2 — CID 47093388

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C18H23N3O2/c1-12-16(14-5-3-4-6-15(14)20-12)17(22)18(23)19-11-13-7-9-21(2)10-8-13/h3-6,13,20H,7-11H2,1-2H3,(H,19,23)
InChIKeyHVKLMPZIMGBDIJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide (PubChem CID 47093388) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
PubChem CID47093388
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(C)CC1
InChIInChI=1S/C18H23N3O2/c1-12-16(14-5-3-4-6-15(14)20-12)17(22)18(23)19-11-13-7-9-21(2)10-8-13/h3-6,13,20H,7-11H2,1-2H3,(H,19,23)
InChIKeyHVKLMPZIMGBDIJ-UHFFFAOYSA-N
XLogP2.12
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49089233
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
2-(2-methyl-1H-indol-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxoacetamide
CID 46604852
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
CID 52513385
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
N-[(1-methylpiperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 18695627
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 55650137
N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
N-[(2-fluorophenyl)methyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 2985901
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide (CID 47093388) is 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(C)CC1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide?
The InChIKey is HVKLMPZIMGBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12-16(14-5-3-4-6-15(14)20-12)17(22)18(23)19-11-13-7-9-21(2)10-8-13/h3-6,13,20H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide has a molecular weight of 313.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide is sourced from PubChem (CID 47093388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).