2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide

C18H23N3O3 — CID 54165128

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C1CCNCC1)n1c(O)ccc1O
InChIInChI=1S/C18H23N3O3/c1-12(21-16(22)6-7-17(21)23)18(24)20-15-5-3-2-4-14(15)13-8-10-19-11-9-13/h2-7,12-13,19,22-23H,8-11H2,1H3,(H,20,24)
InChIKeyORCYRDZZWGWGSF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide

2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide (PubChem CID 54165128) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide
PubChem CID54165128
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide
SMILESCC(C(=O)Nc1ccccc1C1CCNCC1)n1c(O)ccc1O
InChIInChI=1S/C18H23N3O3/c1-12(21-16(22)6-7-17(21)23)18(24)20-15-5-3-2-4-14(15)13-8-10-19-11-9-13/h2-7,12-13,19,22-23H,8-11H2,1H3,(H,20,24)
InChIKeyORCYRDZZWGWGSF-UHFFFAOYSA-N
XLogP2.57
TPSA86.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide 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 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide (CID 54165128) is 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide is CC(C(=O)Nc1ccccc1C1CCNCC1)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide?
The InChIKey is ORCYRDZZWGWGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(21-16(22)6-7-17(21)23)18(24)20-15-5-3-2-4-14(15)13-8-10-19-11-9-13/h2-7,12-13,19,22-23H,8-11H2,1H3,(H,20,24).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide?
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-N-(2-piperidin-4-ylphenyl)propanamide is sourced from PubChem (CID 54165128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).