2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone

C19H23N5O — CID 136565489

IUPAC2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)nn1
InChIInChI=1S/C19H23N5O/c1-3-24-13-15(21-22-24)12-18(25)23-10-8-19(9-11-23)14(2)20-17-7-5-4-6-16(17)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyCLQZGYDPFYYNSX-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.51
Rot. Bonds3

About 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone

2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone (PubChem CID 136565489) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone
PubChem CID136565489
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone
SMILESCCn1cc(CC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)nn1
InChIInChI=1S/C19H23N5O/c1-3-24-13-15(21-22-24)12-18(25)23-10-8-19(9-11-23)14(2)20-17-7-5-4-6-16(17)19/h4-7,13H,3,8-12H2,1-2H3
InChIKeyCLQZGYDPFYYNSX-UHFFFAOYSA-N
XLogP2.51
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone (CID 136565489) is 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone is CCn1cc(CC(=O)N2CCC3(CC2)C(C)=Nc2ccccc23)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone?
The InChIKey is CLQZGYDPFYYNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-24-13-15(21-22-24)12-18(25)23-10-8-19(9-11-23)14(2)20-17-7-5-4-6-16(17)19/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone?
2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone has a molecular weight of 337.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-1-(2-methylspiro[indole-3,4'-piperidine]-1'-yl)ethanone is sourced from PubChem (CID 136565489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).