[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone

C22H25FN2O3 — CID 24791060

IUPAC[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C(=O)c2ccccc2N(C)C)C1
InChIInChI=1S/C22H25FN2O3/c1-24(2)19-9-5-4-8-17(19)22(27)25-12-6-7-15(14-25)21(26)18-13-16(23)10-11-20(18)28-3/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyBJMWMDFBIGHOHW-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.64
Rot. Bonds5

About [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone

[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 24791060) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID24791060
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)C1CCCN(C(=O)c2ccccc2N(C)C)C1
InChIInChI=1S/C22H25FN2O3/c1-24(2)19-9-5-4-8-17(19)22(27)25-12-6-7-15(14-25)21(26)18-13-16(23)10-11-20(18)28-3/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyBJMWMDFBIGHOHW-UHFFFAOYSA-N
XLogP3.64
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
(3R)-3-(5-fluoro-2-methoxybenzoyl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 42191325
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
[(3R)-1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 42402755
(5-fluoro-2-methoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493446
cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110803736
ethyl 4-[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 25457872
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 24791060) is [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)C1CCCN(C(=O)c2ccccc2N(C)C)C1.
What is the InChIKey of [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is BJMWMDFBIGHOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-24(2)19-9-5-4-8-17(19)22(27)25-12-6-7-15(14-25)21(26)18-13-16(23)10-11-20(18)28-3/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3.
What are the key properties of [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 384.45 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)benzoyl]piperidin-3-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 24791060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).