1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione

C18H26N4O3 — CID 13304715

IUPAC1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C18H26N4O3/c1-18(2)11-16(24)22(17(18)25)13-14(23)12-20-7-9-21(10-8-20)15-5-3-4-6-19-15/h3-6,14,23H,7-13H2,1-2H3
InChIKeyGLPCPWAFUOAYIC-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.35
Rot. Bonds5

About 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 13304715) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID13304715
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C18H26N4O3/c1-18(2)11-16(24)22(17(18)25)13-14(23)12-20-7-9-21(10-8-20)15-5-3-4-6-19-15/h3-6,14,23H,7-13H2,1-2H3
InChIKeyGLPCPWAFUOAYIC-UHFFFAOYSA-N
XLogP0.35
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 9459460
(3aS,7aR)-2-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 13304487
(6S,7R)-4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 22828289
1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-methyl-5,5-diphenylimidazolidine-2,4-dione;hydrochloride
CID 70692417
2-acetamido-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 71157049
1-ethoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3774471
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
1-[4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 1094949
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 115872740
1-(4-phenylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 2940158
(2R)-1-(2,6-dimethylphenoxy)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 878689
methyl 4-[(2R)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 1300433

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 13304715) is 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(O)CN2CCN(c3ccccn3)CC2)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is GLPCPWAFUOAYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2)11-16(24)22(17(18)25)13-14(23)12-20-7-9-21(10-8-20)15-5-3-4-6-19-15/h3-6,14,23H,7-13H2,1-2H3.
What are the key properties of 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 346.43 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 13304715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).