(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone

C22H24FNO5 — CID 45188321

IUPAC(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(OC)c3)C2)cc1F
InChIInChI=1S/C22H24FNO5/c1-27-18-8-7-15(11-17(18)23)22(26)24-10-4-5-16(13-24)21(25)14-6-9-19(28-2)20(12-14)29-3/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyWODNBKZHSPRBNN-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.59
Rot. Bonds6

About (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone

(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone (PubChem CID 45188321) has the molecular formula C22H24FNO5 and a molecular weight of 401.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
PubChem CID45188321
Molecular FormulaC22H24FNO5
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(OC)c3)C2)cc1F
InChIInChI=1S/C22H24FNO5/c1-27-18-8-7-15(11-17(18)23)22(26)24-10-4-5-16(13-24)21(25)14-6-9-19(28-2)20(12-14)29-3/h6-9,11-12,16H,4-5,10,13H2,1-3H3
InChIKeyWODNBKZHSPRBNN-UHFFFAOYSA-N
XLogP3.59
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55150992
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 24819516
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
(3,4-dimethoxyphenyl)-[(3S)-1-(2-hydroxy-4-methylbenzoyl)piperidin-3-yl]methanone
CID 95711372
(3,4-dimethoxyphenyl)-[1-(1H-1,2,4-triazole-5-carbonyl)piperidin-3-yl]methanone
CID 72908092
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone (CID 45188321) is (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone is COc1ccc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(OC)c3)C2)cc1F.
What is the InChIKey of (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone?
The InChIKey is WODNBKZHSPRBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO5/c1-27-18-8-7-15(11-17(18)23)22(26)24-10-4-5-16(13-24)21(25)14-6-9-19(28-2)20(12-14)29-3/h6-9,11-12,16H,4-5,10,13H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone?
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone has a molecular weight of 401.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45188321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).