2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

C19H26FN5O — CID 126781661

IUPAC2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCn1cnnc1C1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN5O/c1-3-25-14-21-22-19(25)16-5-4-10-24(12-16)13-18(26)23(2)11-15-6-8-17(20)9-7-15/h6-9,14,16H,3-5,10-13H2,1-2H3
InChIKeyAEXMNKQZXLUOSM-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.28
Rot. Bonds6

About 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide

2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 126781661) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
PubChem CID126781661
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
SMILESCCn1cnnc1C1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1
InChIInChI=1S/C19H26FN5O/c1-3-25-14-21-22-19(25)16-5-4-10-24(12-16)13-18(26)23(2)11-15-6-8-17(20)9-7-15/h6-9,14,16H,3-5,10-13H2,1-2H3
InChIKeyAEXMNKQZXLUOSM-UHFFFAOYSA-N
XLogP2.28
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 60570857
N-benzyl-N-[2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]methanesulfonamide
CID 126784113
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine
CID 136519607
1-[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 97145492
2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 87015631
N-[(4-fluorophenyl)methyl]-N-methyl-2-(2-methylmorpholin-4-yl)acetamide
CID 134055268
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 110913240
1-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 111538179

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide (CID 126781661) is 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is CCn1cnnc1C1CCCN(CC(=O)N(C)Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is AEXMNKQZXLUOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-3-25-14-21-22-19(25)16-5-4-10-24(12-16)13-18(26)23(2)11-15-6-8-17(20)9-7-15/h6-9,14,16H,3-5,10-13H2,1-2H3.
What are the key properties of 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide?
2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 359.45 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 126781661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).