3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one

C18H22N2O — CID 5309423

IUPAC3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)n1cccc1)N1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18(20-13-5-2-6-14-20)17(19-11-7-8-12-19)15-16-9-3-1-4-10-16/h1,3-4,7-12,17H,2,5-6,13-15H2
InChIKeyWYHMWFKGUAUIDI-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.28
Rot. Bonds4

About 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one

3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one (PubChem CID 5309423) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one
PubChem CID5309423
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one
SMILESO=C(C(Cc1ccccc1)n1cccc1)N1CCCCC1
InChIInChI=1S/C18H22N2O/c21-18(20-13-5-2-6-14-20)17(19-11-7-8-12-19)15-16-9-3-1-4-10-16/h1,3-4,7-12,17H,2,5-6,13-15H2
InChIKeyWYHMWFKGUAUIDI-UHFFFAOYSA-N
XLogP3.28
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one (CID 5309423) is 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one is O=C(C(Cc1ccccc1)n1cccc1)N1CCCCC1.
What is the InChIKey of 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one?
The InChIKey is WYHMWFKGUAUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(20-13-5-2-6-14-20)17(19-11-7-8-12-19)15-16-9-3-1-4-10-16/h1,3-4,7-12,17H,2,5-6,13-15H2.
What are the key properties of 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one?
3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one has a molecular weight of 282.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-piperidin-1-yl-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 5309423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).