4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one

C19H27FN4O2 — CID 121118123

IUPAC4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(Cc3cccc(F)c3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H27FN4O2/c1-3-23-18(21-24(19(23)25)11-12-26-2)16-7-9-22(10-8-16)14-15-5-4-6-17(20)13-15/h4-6,13,16H,3,7-12,14H2,1-2H3
InChIKeyKFPFVHLWBSAXBY-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.23
Rot. Bonds7

About 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one

4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one (PubChem CID 121118123) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one.

Molecular Properties

Compound Name4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
PubChem CID121118123
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC Name4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one
SMILESCCn1c(C2CCN(Cc3cccc(F)c3)CC2)nn(CCOC)c1=O
InChIInChI=1S/C19H27FN4O2/c1-3-23-18(21-24(19(23)25)11-12-26-2)16-7-9-22(10-8-16)14-15-5-4-6-17(20)13-15/h4-6,13,16H,3,7-12,14H2,1-2H3
InChIKeyKFPFVHLWBSAXBY-UHFFFAOYSA-N
XLogP2.23
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one with MolForge

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Related Compounds

2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 121118174
1-[(3-fluorophenyl)methyl]-4-(2-methoxyethyl)piperazine
CID 121458782
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N-phenylacetamide
CID 121118093
5-[1-(benzenesulfonyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 71793712
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115281
3-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carbonyl]benzonitrile
CID 71793167
2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 121118148
5-[1-(2,2-diphenylacetyl)piperidin-4-yl]-4-ethyl-2-(2-methoxyethyl)-1,2,4-triazol-3-one
CID 121115214
4-ethyl-2-(2-methoxyethyl)-5-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115207
N-(4-bromophenyl)-2-[4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
CID 121118134
N-ethyl-4-[4-ethyl-1-(2-methoxyethyl)-5-oxo-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 121115333
2-benzyl-4-ethyl-5-[1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-1,2,4-triazol-3-one
CID 121117528

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The IUPAC name of 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one (CID 121118123) is 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one.
What is the SMILES notation for 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The canonical SMILES for 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one is CCn1c(C2CCN(Cc3cccc(F)c3)CC2)nn(CCOC)c1=O.
What is the InChIKey of 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
The InChIKey is KFPFVHLWBSAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c1-3-23-18(21-24(19(23)25)11-12-26-2)16-7-9-22(10-8-16)14-15-5-4-6-17(20)13-15/h4-6,13,16H,3,7-12,14H2,1-2H3.
What are the key properties of 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one?
4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one has a molecular weight of 362.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyethyl)-1,2,4-triazol-3-one is sourced from PubChem (CID 121118123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).