phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone

C23H24N2O2 — CID 56666716

IUPACphenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone
SMILESO=C(C1=C(c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H24N2O2/c26-22(19-12-6-2-7-13-19)25-17-14-20(18-10-4-1-5-11-18)21(25)23(27)24-15-8-3-9-16-24/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKeyVLGGADZNRKZXTC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.96
Rot. Bonds3

About phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone

phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone (PubChem CID 56666716) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone
PubChem CID56666716
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Namephenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone
SMILESO=C(C1=C(c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1
InChIInChI=1S/C23H24N2O2/c26-22(19-12-6-2-7-13-19)25-17-14-20(18-10-4-1-5-11-18)21(25)23(27)24-15-8-3-9-16-24/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKeyVLGGADZNRKZXTC-UHFFFAOYSA-N
XLogP3.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone (CID 56666716) is phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone is O=C(C1=C(c2ccccc2)CCN1C(=O)c1ccccc1)N1CCCCC1.
What is the InChIKey of phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone?
The InChIKey is VLGGADZNRKZXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-22(19-12-6-2-7-13-19)25-17-14-20(18-10-4-1-5-11-18)21(25)23(27)24-15-8-3-9-16-24/h1-2,4-7,10-13H,3,8-9,14-17H2.
What are the key properties of phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone?
phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-5-(piperidine-1-carbonyl)-2,3-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 56666716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).