5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione

C19H27N3O3 — CID 86293406

IUPAC5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)25-19)11-7-6-10-20-12-14-21(15-13-20)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3
InChIKeyYFTUOUJCXKJXDC-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.35
Rot. Bonds6

About 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione

5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione (PubChem CID 86293406) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
PubChem CID86293406
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O
InChIInChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)25-19)11-7-6-10-20-12-14-21(15-13-20)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3
InChIKeyYFTUOUJCXKJXDC-UHFFFAOYSA-N
XLogP2.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-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

5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
CID 86293219
5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazinane-2,4,6-trione
CID 600468
6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
CID 3053458
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72924241
(1S,2R,6S,7R)-4-[4-(4-phenylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 25266539
6-methyl-4-(4-phenylpiperazin-1-yl)-2-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyridine-1,3-dione
CID 10098747
5-hydroxy-2,2-dimethyl-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3H-chromen-4-one;hydrochloride
CID 117069117
2-[3-(4-phenylpiperazin-1-yl)propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10807257
3,8-dimethyl-4-[4-(4-phenylpiperazin-1-yl)butyl]-1,4-benzoxazepin-5-one
CID 18328024
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
1-benzyl-4-(4-phenylbutyl)piperazine;2-[4-(4-phenylpiperazin-1-yl)butyl]isoindole-1,3-dione
CID 67835959
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 38448455

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione (CID 86293406) is 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is YFTUOUJCXKJXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)17(23)22(18(24)25-19)11-7-6-10-20-12-14-21(15-13-20)16-8-4-3-5-9-16/h3-5,8-9H,6-7,10-15H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 86293406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).