[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone

C20H24FN3O3 — CID 24819516

IUPAC[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(F)c3)C2)n(C)n1
InChIInChI=1S/C20H24FN3O3/c1-4-15-11-17(23(2)22-15)20(26)24-9-5-6-14(12-24)19(25)13-7-8-18(27-3)16(21)10-13/h7-8,10-11,14H,4-6,9,12H2,1-3H3
InChIKeyOKDHSCFRXFSCER-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.87
Rot. Bonds5

About [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone

[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 24819516) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID24819516
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCc1cc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(F)c3)C2)n(C)n1
InChIInChI=1S/C20H24FN3O3/c1-4-15-11-17(23(2)22-15)20(26)24-9-5-6-14(12-24)19(25)13-7-8-18(27-3)16(21)10-13/h7-8,10-11,14H,4-6,9,12H2,1-3H3
InChIKeyOKDHSCFRXFSCER-UHFFFAOYSA-N
XLogP2.87
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
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
(3R)-1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 81119737
1-[3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 56898677
(3-fluoro-4-methoxyphenyl)-[(3R)-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]methanone
CID 42189380
1-[2-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidine-1-carbonyl]phenyl]ethanone
CID 42527385
[(3R)-1-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 42095005
(3-ethyl-1-methylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 66120347
[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45209304
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396
1-(3-fluoro-4-methoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77042001
(2,5-difluorophenyl)-[1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]piperidin-3-yl]methanone
CID 24790323
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone (CID 24819516) is [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone is CCc1cc(C(=O)N2CCCC(C(=O)c3ccc(OC)c(F)c3)C2)n(C)n1.
What is the InChIKey of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is OKDHSCFRXFSCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-4-15-11-17(23(2)22-15)20(26)24-9-5-6-14(12-24)19(25)13-7-8-18(27-3)16(21)10-13/h7-8,10-11,14H,4-6,9,12H2,1-3H3.
What are the key properties of [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone?
[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 373.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 24819516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).