furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone

C22H23N3O4 — CID 110244568

IUPACfuran-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccco3)CC2)cc1Cn1cccn1
InChIInChI=1S/C22H23N3O4/c1-28-19-6-5-17(14-18(19)15-25-10-3-9-23-25)22(27)24-11-7-16(8-12-24)21(26)20-4-2-13-29-20/h2-6,9-10,13-14,16H,7-8,11-12,15H2,1H3
InChIKeyHMZQDYLYCXOCSP-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.27
Rot. Bonds6

About furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone

furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone (PubChem CID 110244568) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone
PubChem CID110244568
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namefuran-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)c3ccco3)CC2)cc1Cn1cccn1
InChIInChI=1S/C22H23N3O4/c1-28-19-6-5-17(14-18(19)15-25-10-3-9-23-25)22(27)24-11-7-16(8-12-24)21(26)20-4-2-13-29-20/h2-6,9-10,13-14,16H,7-8,11-12,15H2,1H3
InChIKeyHMZQDYLYCXOCSP-UHFFFAOYSA-N
XLogP3.27
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086497
(3-ethyl-4-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82486019
(4-benzylpiperazin-1-yl)-(3-ethyl-4-methoxyphenyl)methanone
CID 23766923
(2S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977354
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone
CID 25485977
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 95807248
[(3S)-1-[[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone
CID 42216012
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 46952277
1-(5-chloro-2-methoxybenzoyl)-N-[2-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 55674310

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone (CID 110244568) is furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone is COc1ccc(C(=O)N2CCC(C(=O)c3ccco3)CC2)cc1Cn1cccn1.
What is the InChIKey of furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is HMZQDYLYCXOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-28-19-6-5-17(14-18(19)15-25-10-3-9-23-25)22(27)24-11-7-16(8-12-24)21(26)20-4-2-13-29-20/h2-6,9-10,13-14,16H,7-8,11-12,15H2,1H3.
What are the key properties of furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone?
furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 393.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 110244568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).