2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole

C23H24N2O — CID 142594360

IUPAC2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
SMILESCCc1c(-c2cc3ccccc3o2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C23H24N2O/c1-2-18-19-13-16(15-9-11-24-12-10-15)7-8-20(19)25-23(18)22-14-17-5-3-4-6-21(17)26-22/h3-8,13-15,24-25H,2,9-12H2,1H3
InChIKeyTUNBEABBBHWMSP-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.61
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole

2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole (PubChem CID 142594360) has the molecular formula C23H24N2O and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
PubChem CID142594360
Molecular FormulaC23H24N2O
Molecular Weight344.46 g/mol
Exact Mass344.19
IUPAC Name2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
SMILESCCc1c(-c2cc3ccccc3o2)[nH]c2ccc(C3CCNCC3)cc12
InChIInChI=1S/C23H24N2O/c1-2-18-19-13-16(15-9-11-24-12-10-15)7-8-20(19)25-23(18)22-14-17-5-3-4-6-21(17)26-22/h3-8,13-15,24-25H,2,9-12H2,1H3
InChIKeyTUNBEABBBHWMSP-UHFFFAOYSA-N
XLogP5.61
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 142594226
2-amino-4-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)pyridin-3-ol
CID 134329906
3-(3-ethyl-5-piperidin-4-yl-1H-indol-2-yl)-5-methoxyimidazo[1,2-a]pyrazine
CID 142594610
2,3-dimethyl-5-piperidin-4-yl-1H-indole
CID 82391168
3-ethyl-5-[1-[(1-methylpyrrol-2-yl)methyl]piperidin-4-yl]-2-(1H-pyrrol-3-yl)-1H-indole
CID 175038513
5-(1-benzofuran-2-yl)-2-ethyl-4-methoxy-1H-imidazole
CID 154283969
3-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-5-piperidin-4-yl-1H-indole
CID 134329293
3-piperidin-4-ylchromen-2-one
CID 118037159
3-cyclopropyl-9H-carbazole
CID 144848262
6-(1-benzofuran-2-yl)-2-piperidin-4-yl-5H-pyrrolo[3,2-d]pyrimidine;hydrate;hydrochloride
CID 18511193
2-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-5-piperidin-4-yl-1H-indole
CID 134230741
3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
CID 142594476

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole (CID 142594360) is 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole is CCc1c(-c2cc3ccccc3o2)[nH]c2ccc(C3CCNCC3)cc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole?
The InChIKey is TUNBEABBBHWMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O/c1-2-18-19-13-16(15-9-11-24-12-10-15)7-8-20(19)25-23(18)22-14-17-5-3-4-6-21(17)26-22/h3-8,13-15,24-25H,2,9-12H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole?
2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole has a molecular weight of 344.46 g/mol, XLogP of 5.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole is sourced from PubChem (CID 142594360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).