(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone

C19H18FN5O — CID 46984125

IUPAC(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(n2cc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C19H18FN5O/c20-16-5-1-3-14(11-16)19(26)24-9-6-17(7-10-24)25-13-18(22-23-25)15-4-2-8-21-12-15/h1-5,8,11-13,17H,6-7,9-10H2
InChIKeyGQGXIFFRXSWPPU-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.96
Rot. Bonds3

About (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone

(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone (PubChem CID 46984125) has the molecular formula C19H18FN5O and a molecular weight of 351.38 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
PubChem CID46984125
Molecular FormulaC19H18FN5O
Molecular Weight351.38 g/mol
Exact Mass351.15
IUPAC Name(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCC(n2cc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C19H18FN5O/c20-16-5-1-3-14(11-16)19(26)24-9-6-17(7-10-24)25-13-18(22-23-25)15-4-2-8-21-12-15/h1-5,8,11-13,17H,6-7,9-10H2
InChIKeyGQGXIFFRXSWPPU-UHFFFAOYSA-N
XLogP2.96
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
(3-fluorophenyl)-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91891786
1-adamantyl-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone
CID 46989611
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
N-(2,5-dimethylphenyl)-4-(4-pyridin-3-yltriazol-1-yl)piperidine-1-carboxamide
CID 30937423
1-(3-fluorobenzoyl)-N-pyridin-3-ylpiperidine-4-carboxamide
CID 17223654
3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
CID 46994455
(3-fluorophenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 22585654
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
(3-fluorophenyl)-[4-[(1-methyl-3-pyridin-3-ylpyrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 46958152
(3-phenylmethoxyphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150004
(3-fluorophenyl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 110868479

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone (CID 46984125) is (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCC(n2cc(-c3cccnc3)nn2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is GQGXIFFRXSWPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-16-5-1-3-14(11-16)19(26)24-9-6-17(7-10-24)25-13-18(22-23-25)15-4-2-8-21-12-15/h1-5,8,11-13,17H,6-7,9-10H2.
What are the key properties of (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(4-pyridin-3-yltriazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 46984125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).