(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

C17H17FN2O — CID 22585654

IUPAC(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H17FN2O/c18-16-3-1-2-15(12-16)17(21)20-10-6-14(7-11-20)13-4-8-19-9-5-13/h1-5,8-9,12,14H,6-7,10-11H2
InChIKeyZAVFUOZGDUXXQF-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.24
Rot. Bonds2

About (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone

(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (PubChem CID 22585654) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
PubChem CID22585654
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C17H17FN2O/c18-16-3-1-2-15(12-16)17(21)20-10-6-14(7-11-20)13-4-8-19-9-5-13/h1-5,8-9,12,14H,6-7,10-11H2
InChIKeyZAVFUOZGDUXXQF-UHFFFAOYSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
(3-fluorophenyl)-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]methanone
CID 110423668
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261910
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
[4-[1-(3-fluorophenyl)pyrazol-4-yl]piperidin-1-yl]-phenylmethanone
CID 53149302
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
(4-pyridin-4-ylpiperidin-1-yl)-(1,2-thiazol-4-yl)methanone
CID 95833568

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone (CID 22585654) is (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is O=C(c1cccc(F)c1)N1CCC(c2ccncc2)CC1.
What is the InChIKey of (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
The InChIKey is ZAVFUOZGDUXXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-16-3-1-2-15(12-16)17(21)20-10-6-14(7-11-20)13-4-8-19-9-5-13/h1-5,8-9,12,14H,6-7,10-11H2.
What are the key properties of (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone?
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone has a molecular weight of 284.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 22585654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).