(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone

C26H30N2O — CID 141222160

IUPAC(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(CCc3cc(-c4ccccc4)[nH]c3C)CC2)cc1
InChIInChI=1S/C26H30N2O/c1-19-8-10-22(11-9-19)26(29)23-12-15-28(16-13-23)17-14-24-18-25(27-20(24)2)21-6-4-3-5-7-21/h3-11,18,23,27H,12-17H2,1-2H3
InChIKeyWACILXUOMVFXOA-UHFFFAOYSA-N
MW386.54 g/mol
LogP5.44
Rot. Bonds6

About (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone

(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone (PubChem CID 141222160) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone
PubChem CID141222160
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(CCc3cc(-c4ccccc4)[nH]c3C)CC2)cc1
InChIInChI=1S/C26H30N2O/c1-19-8-10-22(11-9-19)26(29)23-12-15-28(16-13-23)17-14-24-18-25(27-20(24)2)21-6-4-3-5-7-21/h3-11,18,23,27H,12-17H2,1-2H3
InChIKeyWACILXUOMVFXOA-UHFFFAOYSA-N
XLogP5.44
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.54
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone (CID 141222160) is (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(CCc3cc(-c4ccccc4)[nH]c3C)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone?
The InChIKey is WACILXUOMVFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-19-8-10-22(11-9-19)26(29)23-12-15-28(16-13-23)17-14-24-18-25(27-20(24)2)21-6-4-3-5-7-21/h3-11,18,23,27H,12-17H2,1-2H3.
What are the key properties of (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone?
(4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone has a molecular weight of 386.54 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-[2-(2-methyl-5-phenyl-1H-pyrrol-3-yl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 141222160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).