[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate

C33H34N4O5 — CID 67380711

IUPAC[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C(OCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C33H34N4O5/c38-31(36-16-14-35(15-17-36)30-29(23-8-9-23)18-26(19-34-30)22-6-7-22)24-10-12-27(13-11-24)37-28(21-42-33(37)40)20-41-32(39)25-4-2-1-3-5-25/h1-5,10-13,18-19,22-23,28H,6-9,14-17,20-21H2
InChIKeyZPVXYPKEFUALQR-UHFFFAOYSA-N
MW566.66 g/mol
LogP4.98
Rot. Bonds8

About [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate

[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate (PubChem CID 67380711) has the molecular formula C33H34N4O5 and a molecular weight of 566.66 g/mol. Its IUPAC name is [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate.

Molecular Properties

Compound Name[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
PubChem CID67380711
Molecular FormulaC33H34N4O5
Molecular Weight566.66 g/mol
Exact Mass566.25
IUPAC Name[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate
SMILESO=C(OCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1)c1ccccc1
InChIInChI=1S/C33H34N4O5/c38-31(36-16-14-35(15-17-36)30-29(23-8-9-23)18-26(19-34-30)22-6-7-22)24-10-12-27(13-11-24)37-28(21-42-33(37)40)20-41-32(39)25-4-2-1-3-5-25/h1-5,10-13,18-19,22-23,28H,6-9,14-17,20-21H2
InChIKeyZPVXYPKEFUALQR-UHFFFAOYSA-N
XLogP4.98
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.66
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The IUPAC name of [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate (CID 67380711) is [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate.
What is the SMILES notation for [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The canonical SMILES for [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate is O=C(OCC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C4CC4)cc3C3CC3)CC2)cc1)c1ccccc1.
What is the InChIKey of [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
The InChIKey is ZPVXYPKEFUALQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O5/c38-31(36-16-14-35(15-17-36)30-29(23-8-9-23)18-26(19-34-30)22-6-7-22)24-10-12-27(13-11-24)37-28(21-42-33(37)40)20-41-32(39)25-4-2-1-3-5-25/h1-5,10-13,18-19,22-23,28H,6-9,14-17,20-21H2.
What are the key properties of [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate?
[3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate has a molecular weight of 566.66 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl benzoate is sourced from PubChem (CID 67380711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).