(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone

C23H25BrN2O — CID 70879102

IUPAC(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCCC1(c2ccccc2C)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C23H25BrN2O/c1-3-23(19-7-5-4-6-16(19)2)10-12-26(13-11-23)22(27)21-15-17-14-18(24)8-9-20(17)25-21/h4-9,14-15,25H,3,10-13H2,1-2H3
InChIKeyNFUWDUMEHCGBEG-UHFFFAOYSA-N
MW425.37 g/mol
LogP5.82
Rot. Bonds3

About (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone

(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone (PubChem CID 70879102) has the molecular formula C23H25BrN2O and a molecular weight of 425.37 g/mol. Its IUPAC name is (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
PubChem CID70879102
Molecular FormulaC23H25BrN2O
Molecular Weight425.37 g/mol
Exact Mass424.12
IUPAC Name(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone
SMILESCCC1(c2ccccc2C)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1
InChIInChI=1S/C23H25BrN2O/c1-3-23(19-7-5-4-6-16(19)2)10-12-26(13-11-23)22(27)21-15-17-14-18(24)8-9-20(17)25-21/h4-9,14-15,25H,3,10-13H2,1-2H3
InChIKeyNFUWDUMEHCGBEG-UHFFFAOYSA-N
XLogP5.82
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.37
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(3R)-1-(5-bromo-1H-indole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695601
6-(5-bromo-1H-indole-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175453
[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38909280
(4,4-dimethylpiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 55155671
4-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]benzamide
CID 86969119
(5-bromo-1H-indol-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111562101
(5-bromo-1H-indol-2-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 30787030
1-[4-(5-bromo-1H-indole-2-carbonyl)piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 78905252
(4,4-difluoropiperidin-1-yl)-(1H-indol-2-yl)methanone
CID 68887703
4-hydroxy-1-(1H-indole-2-carbonyl)piperidine-4-carboxylic acid
CID 119251399
(5-methyl-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 3403714
(3S)-1-(5-bromo-1H-indole-2-carbonyl)piperidine-3-carboxylic acid
CID 119113659

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone (CID 70879102) is (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone is CCC1(c2ccccc2C)CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1.
What is the InChIKey of (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is NFUWDUMEHCGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN2O/c1-3-23(19-7-5-4-6-16(19)2)10-12-26(13-11-23)22(27)21-15-17-14-18(24)8-9-20(17)25-21/h4-9,14-15,25H,3,10-13H2,1-2H3.
What are the key properties of (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone?
(5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 425.37 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1H-indol-2-yl)-[4-ethyl-4-(2-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70879102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).