ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate

C26H31N3O3 — CID 90680581

IUPACethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C(=O)NCCn3c(C)cc4ccccc43)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-3-32-26(31)21-12-15-28(16-13-21)23-10-8-20(9-11-23)25(30)27-14-17-29-19(2)18-22-6-4-5-7-24(22)29/h4-11,18,21H,3,12-17H2,1-2H3,(H,27,30)
InChIKeyMGUITSMATPACFP-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.16
Rot. Bonds7

About ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate

ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate (PubChem CID 90680581) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate
PubChem CID90680581
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Nameethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(C(=O)NCCn3c(C)cc4ccccc43)cc2)CC1
InChIInChI=1S/C26H31N3O3/c1-3-32-26(31)21-12-15-28(16-13-21)23-10-8-20(9-11-23)25(30)27-14-17-29-19(2)18-22-6-4-5-7-24(22)29/h4-11,18,21H,3,12-17H2,1-2H3,(H,27,30)
InChIKeyMGUITSMATPACFP-UHFFFAOYSA-N
XLogP4.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate (CID 90680581) is ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(C(=O)NCCn3c(C)cc4ccccc43)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate?
The InChIKey is MGUITSMATPACFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-3-32-26(31)21-12-15-28(16-13-21)23-10-8-20(9-11-23)25(30)27-14-17-29-19(2)18-22-6-4-5-7-24(22)29/h4-11,18,21H,3,12-17H2,1-2H3,(H,27,30).
What are the key properties of ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate?
ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate has a molecular weight of 433.55 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[2-(2-methylindol-1-yl)ethylcarbamoyl]phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 90680581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).