1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

C19H25N3O3S — CID 91910292

IUPAC1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H25N3O3S/c1-26(24,25)22-10-7-14(8-11-22)15-6-9-21(13-15)19(23)17-12-20-18-5-3-2-4-16(17)18/h2-5,12,14-15,20H,6-11,13H2,1H3
InChIKeyPFMQORQVCCIKNN-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.30
Rot. Bonds3

About 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone

1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 91910292) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID91910292
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(C2CCN(C(=O)c3c[nH]c4ccccc34)C2)CC1
InChIInChI=1S/C19H25N3O3S/c1-26(24,25)22-10-7-14(8-11-22)15-6-9-21(13-15)19(23)17-12-20-18-5-3-2-4-16(17)18/h2-5,12,14-15,20H,6-11,13H2,1H3
InChIKeyPFMQORQVCCIKNN-UHFFFAOYSA-N
XLogP2.30
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
CID 90511665
1H-indol-3-yl-(3-propoxypiperidin-1-yl)methanone
CID 61171911
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
1H-indol-3-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592330

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone (CID 91910292) is 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is CS(=O)(=O)N1CCC(C2CCN(C(=O)c3c[nH]c4ccccc34)C2)CC1.
What is the InChIKey of 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is PFMQORQVCCIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-26(24,25)22-10-7-14(8-11-22)15-6-9-21(13-15)19(23)17-12-20-18-5-3-2-4-16(17)18/h2-5,12,14-15,20H,6-11,13H2,1H3.
What are the key properties of 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone?
1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 375.49 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-yl-[3-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91910292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).