(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone

C20H25N3O2 — CID 90511665

IUPAC(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)C1
InChIInChI=1S/C20H25N3O2/c1-13-7-14(2)10-22(9-13)19(24)15-11-23(12-15)20(25)17-8-21-18-6-4-3-5-16(17)18/h3-6,8,13-15,21H,7,9-12H2,1-2H3
InChIKeyUMFQHDCWESZBSK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.74
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone

(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone (PubChem CID 90511665) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
PubChem CID90511665
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone
SMILESCC1CC(C)CN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)C1
InChIInChI=1S/C20H25N3O2/c1-13-7-14(2)10-22(9-13)19(24)15-11-23(12-15)20(25)17-8-21-18-6-4-3-5-16(17)18/h3-6,8,13-15,21H,7,9-12H2,1-2H3
InChIKeyUMFQHDCWESZBSK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone with MolForge

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Related Compounds

[1-(1H-indole-3-carbonyl)azetidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 90511658
1-[4-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 90511875
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7117259
1-(1H-indole-3-carbonyl)azetidine-3-carboxylic acid
CID 71300283
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 90511889
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
[1-(1H-indole-3-carbonyl)azetidin-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 90511890
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1H-indol-3-yl)methanone
CID 66210625
(4-ethyl-3-methylpiperazin-1-yl)-(1H-indol-3-yl)methanone
CID 63605636
(3-ethylpyrrolidin-1-yl)-(1H-indol-3-yl)methanone
CID 113253973

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone (CID 90511665) is (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone is CC1CC(C)CN(C(=O)C2CN(C(=O)c3c[nH]c4ccccc34)C2)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone?
The InChIKey is UMFQHDCWESZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-13-7-14(2)10-22(9-13)19(24)15-11-23(12-15)20(25)17-8-21-18-6-4-3-5-16(17)18/h3-6,8,13-15,21H,7,9-12H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone?
(3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[1-(1H-indole-3-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 90511665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).