[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone

C20H20FN3O — CID 71938369

IUPAC[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20FN3O/c21-16-4-1-3-15(12-16)11-14-7-9-24(10-8-14)20(25)17-5-2-6-19-18(17)13-22-23-19/h1-6,12-14H,7-11H2,(H,22,23)
InChIKeyDIGRVLNWOITUJN-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.80
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone

[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone (PubChem CID 71938369) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
PubChem CID71938369
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ncc12)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H20FN3O/c21-16-4-1-3-15(12-16)11-14-7-9-24(10-8-14)20(25)17-5-2-6-19-18(17)13-22-23-19/h1-6,12-14H,7-11H2,(H,22,23)
InChIKeyDIGRVLNWOITUJN-UHFFFAOYSA-N
XLogP3.80
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136554321
1H-indazol-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 166207032
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1H-indazol-4-yl-[4-(2-methylpropoxy)piperidin-1-yl]methanone
CID 51090766
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119296749
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-piperidin-2-ylmethanone
CID 119296735
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119736858
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 119736886
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1-oxidopyridin-1-ium-2-yl)methanone
CID 136577859
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone (CID 71938369) is [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone is O=C(c1cccc2[nH]ncc12)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is DIGRVLNWOITUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-16-4-1-3-15(12-16)11-14-7-9-24(10-8-14)20(25)17-5-2-6-19-18(17)13-22-23-19/h1-6,12-14H,7-11H2,(H,22,23).
What are the key properties of [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone?
[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 337.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]piperidin-1-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 71938369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).