(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

C21H26N4O — CID 136539510

IUPAC(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C21H26N4O/c1-4-24-12-10-22-20(24)19-7-5-6-11-25(19)21(26)16-8-9-18-17(13-16)14(2)15(3)23-18/h8-10,12-13,19,23H,4-7,11H2,1-3H3
InChIKeyUXDPKMLAHNSVRK-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.37
Rot. Bonds3

About (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone

(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 136539510) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID136539510
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C21H26N4O/c1-4-24-12-10-22-20(24)19-7-5-6-11-25(19)21(26)16-8-9-18-17(13-16)14(2)15(3)23-18/h8-10,12-13,19,23H,4-7,11H2,1-3H3
InChIKeyUXDPKMLAHNSVRK-UHFFFAOYSA-N
XLogP4.37
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-(2-methylpiperidin-1-yl)methanone
CID 43397948
(2,3-dimethyl-1H-indol-5-yl)-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 39490617
(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
[(2R)-1,4-dithian-2-yl]-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 124742119
4-[(2S)-2-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 125140588
(2,3-dimethyl-1H-indol-5-yl)-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 110105547
(2S)-2-(1-ethylimidazol-2-yl)-N-(1H-indol-6-yl)piperidine-1-carboxamide
CID 124890719
(2,3-dimethyl-1H-indol-5-yl)-(3-ethylpiperidin-1-yl)methanone
CID 43430156
(1,1-dioxo-1,4-thiazinan-4-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 139010291
1-[(2R)-2-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 124890717
(2,3-dimethyl-1H-indol-5-yl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332978

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone (CID 136539510) is (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is CCn1ccnc1C1CCCCN1C(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UXDPKMLAHNSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-24-12-10-22-20(24)19-7-5-6-11-25(19)21(26)16-8-9-18-17(13-16)14(2)15(3)23-18/h8-10,12-13,19,23H,4-7,11H2,1-3H3.
What are the key properties of (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone?
(2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 350.47 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1H-indol-5-yl)-[2-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 136539510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).