1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one

C19H23FN2O — CID 57234756

IUPAC1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C2(N3CCCCC3)C=CC=N2)c(F)c1C
InChIInChI=1S/C19H23FN2O/c1-3-17(23)15-8-9-16(18(20)14(15)2)19(10-7-11-21-19)22-12-5-4-6-13-22/h7-11H,3-6,12-13H2,1-2H3
InChIKeyNYHVCSJNSVHVLH-UHFFFAOYSA-N
MW314.40 g/mol
LogP4.01
Rot. Bonds4

About 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one

1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one (PubChem CID 57234756) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one
PubChem CID57234756
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one
SMILESCCC(=O)c1ccc(C2(N3CCCCC3)C=CC=N2)c(F)c1C
InChIInChI=1S/C19H23FN2O/c1-3-17(23)15-8-9-16(18(20)14(15)2)19(10-7-11-21-19)22-12-5-4-6-13-22/h7-11H,3-6,12-13H2,1-2H3
InChIKeyNYHVCSJNSVHVLH-UHFFFAOYSA-N
XLogP4.01
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one?
The IUPAC name of 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one (CID 57234756) is 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one?
The canonical SMILES for 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one is CCC(=O)c1ccc(C2(N3CCCCC3)C=CC=N2)c(F)c1C.
What is the InChIKey of 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one?
The InChIKey is NYHVCSJNSVHVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c1-3-17(23)15-8-9-16(18(20)14(15)2)19(10-7-11-21-19)22-12-5-4-6-13-22/h7-11H,3-6,12-13H2,1-2H3.
What are the key properties of 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one?
1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one has a molecular weight of 314.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-2-methyl-4-(2-piperidin-1-ylpyrrol-2-yl)phenyl]propan-1-one is sourced from PubChem (CID 57234756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).