1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone

C23H25N3O — CID 20687144

IUPAC1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C23H25N3O/c1-17(27)26-14-10-19(11-15-26)22-16-21(18-8-12-24-13-9-18)23(25(22)2)20-6-4-3-5-7-20/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3
InChIKeyVTPMGYVCLHSFJS-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.48
Rot. Bonds3

About 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone

1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone (PubChem CID 20687144) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
PubChem CID20687144
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1
InChIInChI=1S/C23H25N3O/c1-17(27)26-14-10-19(11-15-26)22-16-21(18-8-12-24-13-9-18)23(25(22)2)20-6-4-3-5-7-20/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3
InChIKeyVTPMGYVCLHSFJS-UHFFFAOYSA-N
XLogP4.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone (CID 20687144) is 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(-c3ccncc3)c(-c3ccccc3)n2C)CC1.
What is the InChIKey of 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is VTPMGYVCLHSFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(27)26-14-10-19(11-15-26)22-16-21(18-8-12-24-13-9-18)23(25(22)2)20-6-4-3-5-7-20/h3-9,12-13,16,19H,10-11,14-15H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone?
1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 359.47 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-5-phenyl-4-pyridin-4-ylpyrrol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 20687144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).