(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

C15H17FN4O — CID 52812393

IUPAC(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1F
InChIInChI=1S/C15H17FN4O/c1-11-2-3-12(8-14(11)16)15(21)19-6-4-13(5-7-19)20-10-17-9-18-20/h2-3,8-10,13H,4-7H2,1H3
InChIKeyCJVIGOOKJUAOMU-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.20
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone

(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (PubChem CID 52812393) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
PubChem CID52812393
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1F
InChIInChI=1S/C15H17FN4O/c1-11-2-3-12(8-14(11)16)15(21)19-6-4-13(5-7-19)20-10-17-9-18-20/h2-3,8-10,13H,4-7H2,1H3
InChIKeyCJVIGOOKJUAOMU-UHFFFAOYSA-N
XLogP2.20
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
(3,4-dimethylphenyl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110871165
[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
(4-bromo-3-methylpiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 114683526
(3-methyl-4-nitrophenyl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 56826326
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55879784
4-fluoro-N-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]benzenesulfonamide
CID 34342091
ethene;1-(3-fluoro-4-methylbenzoyl)piperidin-4-one
CID 67568721
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone (CID 52812393) is (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(n3cncn3)CC2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is CJVIGOOKJUAOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-11-2-3-12(8-14(11)16)15(21)19-6-4-13(5-7-19)20-10-17-9-18-20/h2-3,8-10,13H,4-7H2,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 288.33 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 52812393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).