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

C17H24N4O3 — CID 86293219

IUPAC5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCN2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C17H24N4O3/c1-17(2)15(22)21(16(23)24-17)9-5-8-19-10-12-20(13-11-19)14-6-3-4-7-18-14/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyKIRGXUBLHOFMGO-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.35
Rot. Bonds5

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

5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 86293219) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
PubChem CID86293219
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(CCCN2CCN(c3ccccn3)CC2)C1=O
InChIInChI=1S/C17H24N4O3/c1-17(2)15(22)21(16(23)24-17)9-5-8-19-10-12-20(13-11-19)14-6-3-4-7-18-14/h3-4,6-7H,5,8-13H2,1-2H3
InChIKeyKIRGXUBLHOFMGO-UHFFFAOYSA-N
XLogP1.35
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
(10S)-10-hydroxy-8-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 10135635
2-butyl-1,3-dimethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrrolo[3,4-c]pyrrole-4,6-dione
CID 3073720
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione (CID 86293219) is 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(CCCN2CCN(c3ccccn3)CC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KIRGXUBLHOFMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2)15(22)21(16(23)24-17)9-5-8-19-10-12-20(13-11-19)14-6-3-4-7-18-14/h3-4,6-7H,5,8-13H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione?
5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 332.40 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 86293219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).