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

C24H30FN3O3 — CID 124948903

IUPAC1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(29)27-12-8-18(9-13-27)22(30)28-11-5-10-24(2,16-28)23-26-15-20(31-23)14-19-6-3-4-7-21(19)25/h3-4,6-7,15,18H,5,8-14,16H2,1-2H3/t24-/m0/s1
InChIKeyCQASOQVHANQKMU-DEOSSOPVSA-N
MW427.52 g/mol
LogP3.54
Rot. Bonds4

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

1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 124948903) has the molecular formula C24H30FN3O3 and a molecular weight of 427.52 g/mol. Its IUPAC name is 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID124948903
Molecular FormulaC24H30FN3O3
Molecular Weight427.52 g/mol
Exact Mass427.23
IUPAC Name1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1
InChIInChI=1S/C24H30FN3O3/c1-17(29)27-12-8-18(9-13-27)22(30)28-11-5-10-24(2,16-28)23-26-15-20(31-23)14-19-6-3-4-7-21(19)25/h3-4,6-7,15,18H,5,8-14,16H2,1-2H3/t24-/m0/s1
InChIKeyCQASOQVHANQKMU-DEOSSOPVSA-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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Related Compounds

1-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 124979474
1-[3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-morpholin-4-ylethanone
CID 110111025
5-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124999034
[(3R)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 125004088
1-[(3R)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-2-methylpropan-1-one
CID 124941072
cyclohexyl-[(2S)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 125019117
[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 125014318
cyclohexyl-[(2R)-2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]methanone
CID 125001958
6-[(3S)-3-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]-1H-pyridin-2-one
CID 124993154
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]propan-1-one
CID 110131538
cyclobutyl-[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]methanone
CID 110110461
1-[2-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131528

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone (CID 124948903) is 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCC[C@](C)(c3ncc(Cc4ccccc4F)o3)C2)CC1.
What is the InChIKey of 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is CQASOQVHANQKMU-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H30FN3O3/c1-17(29)27-12-8-18(9-13-27)22(30)28-11-5-10-24(2,16-28)23-26-15-20(31-23)14-19-6-3-4-7-21(19)25/h3-4,6-7,15,18H,5,8-14,16H2,1-2H3/t24-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-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-[(3S)-3-[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]-3-methylpiperidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124948903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).