5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one

C26H33N3O2 — CID 74538762

IUPAC5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1
InChIInChI=1S/C26H33N3O2/c30-26-29(23-13-7-8-14-23)20-24(31-26)19-27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2
InChIKeySLLRBAPSNJOVOL-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.16
Rot. Bonds6

About 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one

5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one (PubChem CID 74538762) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one
PubChem CID74538762
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1
InChIInChI=1S/C26H33N3O2/c30-26-29(23-13-7-8-14-23)20-24(31-26)19-27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2
InChIKeySLLRBAPSNJOVOL-UHFFFAOYSA-N
XLogP4.16
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one (CID 74538762) is 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one is O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1.
What is the InChIKey of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one?
The InChIKey is SLLRBAPSNJOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-26-29(23-13-7-8-14-23)20-24(31-26)19-27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,23-25H,7-8,13-20H2.
What are the key properties of 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one?
5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one has a molecular weight of 419.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-benzhydrylpiperazin-1-yl)methyl]-3-cyclopentyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 74538762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).