[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C21H26F2N4O2 — CID 68680808

IUPAC[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)C1
InChIInChI=1S/C21H26F2N4O2/c1-25(2)16-5-8-27(13-16)19(28)14-3-4-17-15(11-14)12-18(24-17)20(29)26-9-6-21(22,23)7-10-26/h3-4,11-12,16,24H,5-10,13H2,1-2H3
InChIKeyYZPFMEHBINATRL-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.82
Rot. Bonds3

About [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 68680808) has the molecular formula C21H26F2N4O2 and a molecular weight of 404.46 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID68680808
Molecular FormulaC21H26F2N4O2
Molecular Weight404.46 g/mol
Exact Mass404.20
IUPAC Name[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)C1
InChIInChI=1S/C21H26F2N4O2/c1-25(2)16-5-8-27(13-16)19(28)14-3-4-17-15(11-14)12-18(24-17)20(29)26-9-6-21(22,23)7-10-26/h3-4,11-12,16,24H,5-10,13H2,1-2H3
InChIKeyYZPFMEHBINATRL-UHFFFAOYSA-N
XLogP2.82
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid
CID 68680623
5-[4-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylic acid;hydrochloride
CID 68683143
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
[2-(4-hydroxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68680973
[2-(3-fluoropiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68681971
(4,4-difluoropiperidin-1-yl)-[5-[(1-propan-2-ylpiperidin-4-yl)amino]-1H-indol-2-yl]methanone
CID 11538675
[2-(4,4-difluoropiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 68682745
[5-[cyclopropylmethyl(piperidin-4-yl)amino]-1H-indol-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 25221839
[2-(4-methoxypiperidine-1-carbonyl)-1H-indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68683427
(4,4-difluoropiperidin-1-yl)-[5-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-1H-indol-2-yl]methanone
CID 69283237
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 68680808) is [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)C1.
What is the InChIKey of [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is YZPFMEHBINATRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O2/c1-25(2)16-5-8-27(13-16)19(28)14-3-4-17-15(11-14)12-18(24-17)20(29)26-9-6-21(22,23)7-10-26/h3-4,11-12,16,24H,5-10,13H2,1-2H3.
What are the key properties of [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 404.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidine-1-carbonyl)-1H-indol-5-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68680808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).