(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

C21H25N3O2 — CID 124994123

IUPAC(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCN1CCC(c2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1
InChIInChI=1S/C21H25N3O2/c1-23-12-10-17(11-13-23)19-8-5-9-20(22-19)24-18(15-26-21(24)25)14-16-6-3-2-4-7-16/h2-9,17-18H,10-15H2,1H3/t18-/m0/s1
InChIKeyQCNVGUUJGVFPSU-SFHVURJKSA-N
MW351.45 g/mol
LogP3.46
Rot. Bonds4

About (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 124994123) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID124994123
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
SMILESCN1CCC(c2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1
InChIInChI=1S/C21H25N3O2/c1-23-12-10-17(11-13-23)19-8-5-9-20(22-19)24-18(15-26-21(24)25)14-16-6-3-2-4-7-16/h2-9,17-18H,10-15H2,1H3/t18-/m0/s1
InChIKeyQCNVGUUJGVFPSU-SFHVURJKSA-N
XLogP3.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one (CID 124994123) is (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is CN1CCC(c2cccc(N3C(=O)OC[C@@H]3Cc3ccccc3)n2)CC1.
What is the InChIKey of (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is QCNVGUUJGVFPSU-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-12-10-17(11-13-23)19-8-5-9-20(22-19)24-18(15-26-21(24)25)14-16-6-3-2-4-7-16/h2-9,17-18H,10-15H2,1H3/t18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 351.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[6-(1-methylpiperidin-4-yl)-2-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 124994123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).