(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone

C24H24FN3O3 — CID 24791803

IUPAC(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F
InChIInChI=1S/C24H24FN3O3/c1-31-22-9-8-18(14-21(22)25)23(29)20-7-3-11-27(16-20)24(30)19-6-2-5-17(13-19)15-28-12-4-10-26-28/h2,4-6,8-10,12-14,20H,3,7,11,15-16H2,1H3
InChIKeyKGZRFGOPCJONER-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.81
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone

(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone (PubChem CID 24791803) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone
PubChem CID24791803
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F
InChIInChI=1S/C24H24FN3O3/c1-31-22-9-8-18(14-21(22)25)23(29)20-7-3-11-27(16-20)24(30)19-6-2-5-17(13-19)15-28-12-4-10-26-28/h2,4-6,8-10,12-14,20H,3,7,11,15-16H2,1H3
InChIKeyKGZRFGOPCJONER-UHFFFAOYSA-N
XLogP3.81
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone (CID 24791803) is (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone is COc1ccc(C(=O)C2CCCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone?
The InChIKey is KGZRFGOPCJONER-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-31-22-9-8-18(14-21(22)25)23(29)20-7-3-11-27(16-20)24(30)19-6-2-5-17(13-19)15-28-12-4-10-26-28/h2,4-6,8-10,12-14,20H,3,7,11,15-16H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone has a molecular weight of 421.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[1-[3-(pyrazol-1-ylmethyl)benzoyl]piperidin-3-yl]methanone is sourced from PubChem (CID 24791803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).