3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one

C22H28N4O2 — CID 19811488

IUPAC3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCCN2CCN(c3ccccn3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-22-26(19-8-2-1-3-9-19)18-20(28-22)10-5-7-13-24-14-16-25(17-15-24)21-11-4-6-12-23-21/h1-4,6,8-9,11-12,20H,5,7,10,13-18H2
InChIKeyBYJMZJACNFRDDG-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.40
Rot. Bonds7

About 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one

3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one (PubChem CID 19811488) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
PubChem CID19811488
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCCN2CCN(c3ccccn3)CC2)CN1c1ccccc1
InChIInChI=1S/C22H28N4O2/c27-22-26(19-8-2-1-3-9-19)18-20(28-22)10-5-7-13-24-14-16-25(17-15-24)21-11-4-6-12-23-21/h1-4,6,8-9,11-12,20H,5,7,10,13-18H2
InChIKeyBYJMZJACNFRDDG-UHFFFAOYSA-N
XLogP3.40
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;dihydrochloride
CID 19811498
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
5-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one;hydrate;hydrochloride
CID 19811459
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
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
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
(5S)-3,3-diethyl-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]oxolan-2-one
CID 140837611
1-(3-nitroso-3-phenylpropyl)-4-pyridin-2-ylpiperazine
CID 91224251

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one (CID 19811488) is 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one is O=C1OC(CCCCN2CCN(c3ccccn3)CC2)CN1c1ccccc1.
What is the InChIKey of 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one?
The InChIKey is BYJMZJACNFRDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22-26(19-8-2-1-3-9-19)18-20(28-22)10-5-7-13-24-14-16-25(17-15-24)21-11-4-6-12-23-21/h1-4,6,8-9,11-12,20H,5,7,10,13-18H2.
What are the key properties of 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one has a molecular weight of 380.49 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 19811488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).