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

C20H25N3O3 — CID 52513385

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C20H25N3O3/c1-13-6-5-11-23(12-13)17(24)9-10-21-20(26)19(25)18-14(2)22-16-8-4-3-7-15(16)18/h3-4,7-8,13,22H,5-6,9-12H2,1-2H3,(H,21,26)/t13-/m1/s1
InChIKeyDNEBEFYWJLSANR-CYBMUJFWSA-N
MW355.44 g/mol
LogP2.42
Rot. Bonds5

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

2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide (PubChem CID 52513385) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
PubChem CID52513385
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C20H25N3O3/c1-13-6-5-11-23(12-13)17(24)9-10-21-20(26)19(25)18-14(2)22-16-8-4-3-7-15(16)18/h3-4,7-8,13,22H,5-6,9-12H2,1-2H3,(H,21,26)/t13-/m1/s1
InChIKeyDNEBEFYWJLSANR-CYBMUJFWSA-N
XLogP2.42
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.42
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)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
CID 16800787
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 110996255
2-(2-methyl-1H-indol-3-yl)-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-2-oxoacetamide
CID 56557702
N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
N-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 94815523
ethyl (3R)-1-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 94117544
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
3-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 17018957
1-benzyl-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine;hydroiodide
CID 110953435
1-[(3R)-3-methylpiperidin-1-yl]-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-1-one
CID 95218444
N-[2-(4-chlorophenyl)ethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 12758173
1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide (CID 52513385) is 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide?
The InChIKey is DNEBEFYWJLSANR-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13-6-5-11-23(12-13)17(24)9-10-21-20(26)19(25)18-14(2)22-16-8-4-3-7-15(16)18/h3-4,7-8,13,22H,5-6,9-12H2,1-2H3,(H,21,26)/t13-/m1/s1.
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide has a molecular weight of 355.44 g/mol, XLogP of 2.42, 5 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-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxoacetamide is sourced from PubChem (CID 52513385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).