(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone

C17H22N2O — CID 43397948

IUPAC(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCCC3C)cc2c1C
InChIInChI=1S/C17H22N2O/c1-11-6-4-5-9-19(11)17(20)14-7-8-16-15(10-14)12(2)13(3)18-16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyGODSUZFOAYRBPJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.80
Rot. Bonds1

About (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone

(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 43397948) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID43397948
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCc1[nH]c2ccc(C(=O)N3CCCCC3C)cc2c1C
InChIInChI=1S/C17H22N2O/c1-11-6-4-5-9-19(11)17(20)14-7-8-16-15(10-14)12(2)13(3)18-16/h7-8,10-11,18H,4-6,9H2,1-3H3
InChIKeyGODSUZFOAYRBPJ-UHFFFAOYSA-N
XLogP3.80
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79029189
(2,3-dimethyl-1H-indol-5-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 72898684
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 136539510
(2,3-dimethyl-1H-indol-5-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680498
(3R)-1-(2,3-dimethyl-1H-indole-5-carbonyl)piperidine-3-carboxamide
CID 94784044
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
(2,3-dimethyl-1H-indol-5-yl)-(3-methylpiperazin-1-yl)methanone
CID 65418753
(2,3-dimethyl-1H-indol-5-yl)-thiomorpholin-4-ylmethanone
CID 43581955
(2,3-dimethyl-1H-indol-5-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 103536921
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-[(1S,2R)-2-hydroxycyclopentyl]morpholin-4-yl]methanone
CID 129491728

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone (CID 43397948) is (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone is Cc1[nH]c2ccc(C(=O)N3CCCCC3C)cc2c1C.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is GODSUZFOAYRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-11-6-4-5-9-19(11)17(20)14-7-8-16-15(10-14)12(2)13(3)18-16/h7-8,10-11,18H,4-6,9H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone?
(2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 270.38 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43397948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).