[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

C20H25N3O2 — CID 110246452

IUPAC[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C20H25N3O2/c1-14-18(16-7-3-4-8-17(16)21-14)20(25)23-12-9-15(13-23)19(24)22-10-5-2-6-11-22/h3-4,7-8,15,21H,2,5-6,9-13H2,1H3
InChIKeyOLYZUQPCNVLHTL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.95
Rot. Bonds2

About [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone

[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 110246452) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
PubChem CID110246452
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1[nH]c2ccccc2c1C(=O)N1CCC(C(=O)N2CCCCC2)C1
InChIInChI=1S/C20H25N3O2/c1-14-18(16-7-3-4-8-17(16)21-14)20(25)23-12-9-15(13-23)19(24)22-10-5-2-6-11-22/h3-4,7-8,15,21H,2,5-6,9-13H2,1H3
InChIKeyOLYZUQPCNVLHTL-UHFFFAOYSA-N
XLogP2.95
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 43355842
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
CID 55650120
azepan-1-yl-[4-(2-methyl-1H-indole-3-carbonyl)morpholin-2-yl]methanone
CID 110246363
ethyl 1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-carboxylate
CID 51112478
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 62348603
(3R)-1-(2-methyl-1H-indole-3-carbonyl)piperidine-3-sulfonamide
CID 95905379
cyclobutyl-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087328
1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805781
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
ethyl 4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809009
(2R)-1-(2-methyl-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78922406
2-ethyl-1-[4-(2-methyl-1H-indole-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110807639

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone (CID 110246452) is [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is Cc1[nH]c2ccccc2c1C(=O)N1CCC(C(=O)N2CCCCC2)C1.
What is the InChIKey of [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is OLYZUQPCNVLHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-18(16-7-3-4-8-17(16)21-14)20(25)23-12-9-15(13-23)19(24)22-10-5-2-6-11-22/h3-4,7-8,15,21H,2,5-6,9-13H2,1H3.
What are the key properties of [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone?
[1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 339.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1H-indole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 110246452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).