N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H24FN3O3 — CID 22913034

IUPACN-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC(C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H24FN3O3/c1-12-5-7-21(8-6-12)17-4-3-14(9-16(17)19)22-11-15(25-18(22)24)10-20-13(2)23/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyHMNHEAVJYUVGEP-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.52
Rot. Bonds4

About N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22913034) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID22913034
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC NameN-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(N3CCC(C)CC3)c(F)c2)C(=O)O1
InChIInChI=1S/C18H24FN3O3/c1-12-5-7-21(8-6-12)17-4-3-14(9-16(17)19)22-11-15(25-18(22)24)10-20-13(2)23/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,20,23)
InChIKeyHMNHEAVJYUVGEP-UHFFFAOYSA-N
XLogP2.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22913034) is N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCC(C)CC3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is HMNHEAVJYUVGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O3/c1-12-5-7-21(8-6-12)17-4-3-14(9-16(17)19)22-11-15(25-18(22)24)10-20-13(2)23/h3-4,9,12,15H,5-8,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22913034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).