1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

C24H30FN3O3 — CID 110110613

IUPAC1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(29)27-11-7-19(8-12-27)22(30)28-13-9-24(2,10-14-28)23-26-16-21(31-23)15-18-3-5-20(25)6-4-18/h3-6,16,19H,7-15H2,1-2H3
InChIKeyOGYFUWIXHKPFQL-UHFFFAOYSA-N
MW427.52 g/mol
LogP3.54
Rot. Bonds4

About 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110110613) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110110613
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(29)27-11-7-19(8-12-27)22(30)28-13-9-24(2,10-14-28)23-26-16-21(31-23)15-18-3-5-20(25)6-4-18/h3-6,16,19H,7-15H2,1-2H3
InChIKeyOGYFUWIXHKPFQL-UHFFFAOYSA-N
XLogP3.54
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 110110613) is 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC(C)(c3ncc(Cc4ccc(F)cc4)o3)CC2)CC1.
What is the InChIKey of 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is OGYFUWIXHKPFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-17(29)27-11-7-19(8-12-27)22(30)28-13-9-24(2,10-14-28)23-26-16-21(31-23)15-18-3-5-20(25)6-4-18/h3-6,16,19H,7-15H2,1-2H3.
What are the key properties of 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 427.52 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]-4-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110110613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).