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

C18H23FN4O2 — CID 53192817

IUPAC(3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nncn3C(C)C)C2)cc1F
InChIInChI=1S/C18H23FN4O2/c1-12(2)23-11-20-21-17(23)14-5-4-8-22(10-14)18(24)13-6-7-16(25-3)15(19)9-13/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3
InChIKeyBBINWSBXXFXTEV-UHFFFAOYSA-N
MW346.41 g/mol
LogP3.03
Rot. Bonds4

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

(3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192817) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192817
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nncn3C(C)C)C2)cc1F
InChIInChI=1S/C18H23FN4O2/c1-12(2)23-11-20-21-17(23)14-5-4-8-22(10-14)18(24)13-6-7-16(25-3)15(19)9-13/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3
InChIKeyBBINWSBXXFXTEV-UHFFFAOYSA-N
XLogP3.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[(4-cyclohexyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 4048413
N-[(4-benzyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 4455561
4-[3-(Methoxymethyl)-4H-1,2,4-triazol-4-YL]-1-[2-(trifluoromethoxy)benzoyl]piperidine
CID 91905096
N-[1-(5-Cyclohexylcarbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-4-methoxy-benzamide
CID 6495190
4-methoxy-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588885
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-fluoro-4-methoxybenzamide
CID 17537531
2-(3-Fluoro-4-methoxyphenyl)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 32015185
{1-[(3,5-dimethyl-1H-1,2,4-triazol-1-yl)acetyl]-3-piperidinyl}(3-fluoro-4-methoxyphenyl)methanone
CID 45201243
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 45811848
3-(3-Methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 51077909
2-(4-Methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51077912
2,3-Dihydro-1,4-benzodioxin-6-yl-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 51079851

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192817) is (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3nncn3C(C)C)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is BBINWSBXXFXTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-12(2)23-11-20-21-17(23)14-5-4-8-22(10-14)18(24)13-6-7-16(25-3)15(19)9-13/h6-7,9,11-12,14H,4-5,8,10H2,1-3H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 346.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).