(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone

C18H19FN2O4 — CID 42189380

IUPAC(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F
InChIInChI=1S/C18H19FN2O4/c1-11-8-15(20-25-11)18(23)21-7-3-4-13(10-21)17(22)12-5-6-16(24-2)14(19)9-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeyQDVUFYHJOHPSHZ-CYBMUJFWSA-N
MW346.36 g/mol
LogP2.87
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone

(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone (PubChem CID 42189380) has the molecular formula C18H19FN2O4 and a molecular weight of 346.36 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
PubChem CID42189380
Molecular FormulaC18H19FN2O4
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F
InChIInChI=1S/C18H19FN2O4/c1-11-8-15(20-25-11)18(23)21-7-3-4-13(10-21)17(22)12-5-6-16(24-2)14(19)9-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m1/s1
InChIKeyQDVUFYHJOHPSHZ-CYBMUJFWSA-N
XLogP2.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
(4-methoxy-3,5-dimethylphenyl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 24793854
[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 42095005
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
methyl 1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylate
CID 78919150
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
1-[(3R)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396616
1-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 26396619

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone (CID 42189380) is (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cc(C)on3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone?
The InChIKey is QDVUFYHJOHPSHZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN2O4/c1-11-8-15(20-25-11)18(23)21-7-3-4-13(10-21)17(22)12-5-6-16(24-2)14(19)9-12/h5-6,8-9,13H,3-4,7,10H2,1-2H3/t13-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone has a molecular weight of 346.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 42189380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).