4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one

C16H21N3O3 — CID 110689081

IUPAC4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCCN1CCN(C(=O)C2NC(=O)OC2c2ccccc2)CC1
InChIInChI=1S/C16H21N3O3/c1-2-18-8-10-19(11-9-18)15(20)13-14(22-16(21)17-13)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21)
InChIKeyVTKSSZWESRXPAM-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.00
Rot. Bonds3

About 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one

4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 110689081) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
PubChem CID110689081
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
SMILESCCN1CCN(C(=O)C2NC(=O)OC2c2ccccc2)CC1
InChIInChI=1S/C16H21N3O3/c1-2-18-8-10-19(11-9-18)15(20)13-14(22-16(21)17-13)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21)
InChIKeyVTKSSZWESRXPAM-UHFFFAOYSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one
CID 110689071
(5S,6R)-6-(4-ethylpiperazine-1-carbonyl)-4-methyl-5-phenylmorpholin-3-one
CID 95738132
methyl (4S,5S)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 121224065
N-ethyl-4-(4-ethylpiperazine-1-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109147543
3,4-dihydro-2H-chromen-4-yl-(4-ethylpiperazin-1-yl)methanone
CID 110647806
N-[4-[4-(4-ethylpiperazine-1-carbonyl)-3-[(2-methylphenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]phenyl]-2-methylpropanamide
CID 42841367
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
(4-ethylpiperazin-1-yl)-[1-[(2R)-2-phenylpropyl]piperidin-4-yl]methanone
CID 795735
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(4S,5R)-4-(chloromethyl)-5-phenyl-1,3-oxazolidin-2-one
CID 102031796
1-(4-ethylpiperazin-1-yl)-2-[(2-phenylcyclopropyl)amino]ethanone
CID 66978917

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one (CID 110689081) is 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one is CCN1CCN(C(=O)C2NC(=O)OC2c2ccccc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is VTKSSZWESRXPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-2-18-8-10-19(11-9-18)15(20)13-14(22-16(21)17-13)12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,21).
What are the key properties of 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one?
4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazine-1-carbonyl)-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110689081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).