1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone

C23H25ClN2O — CID 118085947

IUPAC1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone
SMILESCCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O/c1-2-20-23(22(27)16-25-14-6-3-7-15-25)19-8-4-5-9-21(19)26(20)18-12-10-17(24)11-13-18/h4-5,8-13H,2-3,6-7,14-16H2,1H3
InChIKeyHLVBJXSZQDFCMM-UHFFFAOYSA-N
MW380.92 g/mol
LogP5.51
Rot. Bonds5

About 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone

1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone (PubChem CID 118085947) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone
PubChem CID118085947
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone
SMILESCCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1
InChIInChI=1S/C23H25ClN2O/c1-2-20-23(22(27)16-25-14-6-3-7-15-25)19-8-4-5-9-21(19)26(20)18-12-10-17(24)11-13-18/h4-5,8-13H,2-3,6-7,14-16H2,1H3
InChIKeyHLVBJXSZQDFCMM-UHFFFAOYSA-N
XLogP5.51
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone?
The IUPAC name of 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone (CID 118085947) is 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone is CCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone?
The InChIKey is HLVBJXSZQDFCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c1-2-20-23(22(27)16-25-14-6-3-7-15-25)19-8-4-5-9-21(19)26(20)18-12-10-17(24)11-13-18/h4-5,8-13H,2-3,6-7,14-16H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone?
1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone has a molecular weight of 380.92 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-2-ethylindol-3-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 118085947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).