3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

C22H28FN3O3 — CID 26392293

IUPAC3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1noc(C)c1CC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-20(16(2)29-25-15)13-22(28)26-11-9-17(10-12-26)5-8-21(27)24-14-18-3-6-19(23)7-4-18/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,24,27)
InChIKeyCUWQJZDJFQXAFL-UHFFFAOYSA-N
MW401.48 g/mol
LogP3.31
Rot. Bonds7

About 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 26392293) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID26392293
Molecular FormulaC22H28FN3O3
Molecular Weight401.48 g/mol
Exact Mass401.21
IUPAC Name3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1noc(C)c1CC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O3/c1-15-20(16(2)29-25-15)13-22(28)26-11-9-17(10-12-26)5-8-21(27)24-14-18-3-6-19(23)7-4-18/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,24,27)
InChIKeyCUWQJZDJFQXAFL-UHFFFAOYSA-N
XLogP3.31
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 24817713
N-[(4-fluorophenyl)methyl]-3-[1-[2-[(3S)-morpholin-3-yl]acetyl]piperidin-4-yl]propanamide
CID 97278133
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanone
CID 71708698
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 26409623
3-cyclohexyl-N-[(4-fluorophenyl)methyl]propanamide
CID 803650
N-[(4-fluorophenyl)methyl]-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]propanamide
CID 25381636
4-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 42378837
N-[(4-fluorophenyl)methyl]-3-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]propanamide
CID 42290688
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 70719519
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]ethanone
CID 56778583

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 26392293) is 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is Cc1noc(C)c1CC(=O)N1CCC(CCC(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is CUWQJZDJFQXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-15-20(16(2)29-25-15)13-22(28)26-11-9-17(10-12-26)5-8-21(27)24-14-18-3-6-19(23)7-4-18/h3-4,6-7,17H,5,8-14H2,1-2H3,(H,24,27).
What are the key properties of 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 401.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 26392293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).