1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone

C18H25N5O2 — CID 143519307

IUPAC1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone
SMILESCCc1nnc(Oc2cccc(N3CCN(C(C)=O)CC3)c2)n1CC
InChIInChI=1S/C18H25N5O2/c1-4-17-19-20-18(23(17)5-2)25-16-8-6-7-15(13-16)22-11-9-21(10-12-22)14(3)24/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyIPEWFHWYNIZXFU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds5

About 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone

1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone (PubChem CID 143519307) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone
PubChem CID143519307
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone
SMILESCCc1nnc(Oc2cccc(N3CCN(C(C)=O)CC3)c2)n1CC
InChIInChI=1S/C18H25N5O2/c1-4-17-19-20-18(23(17)5-2)25-16-8-6-7-15(13-16)22-11-9-21(10-12-22)14(3)24/h6-8,13H,4-5,9-12H2,1-3H3
InChIKeyIPEWFHWYNIZXFU-UHFFFAOYSA-N
XLogP2.32
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 71049138
N-[(1R)-1-[5-[3-(4-acetylpiperazin-1-yl)phenoxy]-4-ethyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichlorobenzenesulfinamide
CID 71049165
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]methanesulfonamide
CID 58499330
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
1-[4-(3-ethylphenyl)piperazin-1-yl]ethanethione
CID 143169930
N-[(1R)-1-[4-ethyl-5-[3-(4-methylpiperazin-1-yl)phenoxy]-1,2,4-triazol-3-yl]ethyl]-4-methoxybenzenesulfonamide
CID 58499800
3-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]butan-1-one
CID 60835678
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
2-[[4-ethyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 126347861
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338
(2-ethyl-1,3-thiazol-5-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 48572330
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone (CID 143519307) is 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone is CCc1nnc(Oc2cccc(N3CCN(C(C)=O)CC3)c2)n1CC.
What is the InChIKey of 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone?
The InChIKey is IPEWFHWYNIZXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-4-17-19-20-18(23(17)5-2)25-16-8-6-7-15(13-16)22-11-9-21(10-12-22)14(3)24/h6-8,13H,4-5,9-12H2,1-3H3.
What are the key properties of 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone?
1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone has a molecular weight of 343.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4,5-diethyl-1,2,4-triazol-3-yl)oxy]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 143519307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).