1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

C18H25N5O2 — CID 110109673

IUPAC1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccccc1C1CN(C(=O)C(C)(C)n2cncn2)CCN1C
InChIInChI=1S/C18H25N5O2/c1-18(2,23-13-19-12-20-23)17(24)22-10-9-21(3)15(11-22)14-7-5-6-8-16(14)25-4/h5-8,12-13,15H,9-11H2,1-4H3
InChIKeyFFEYEXKOIWFCRK-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.54
Rot. Bonds4

About 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 110109673) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID110109673
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1ccccc1C1CN(C(=O)C(C)(C)n2cncn2)CCN1C
InChIInChI=1S/C18H25N5O2/c1-18(2,23-13-19-12-20-23)17(24)22-10-9-21(3)15(11-22)14-7-5-6-8-16(14)25-4/h5-8,12-13,15H,9-11H2,1-4H3
InChIKeyFFEYEXKOIWFCRK-UHFFFAOYSA-N
XLogP1.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 112507549
N,N-diethyl-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293203
cyclopropyl-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110293137
2-amino-1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 110096819
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 110098353
[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124973894
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-3-methylbutan-1-one
CID 110293139
[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110109648
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]pentan-1-one
CID 110293138
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 110293180
[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124992452
2-(4-chloropyrazol-1-yl)-1-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]ethanone
CID 125011182

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one (CID 110109673) is 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is COc1ccccc1C1CN(C(=O)C(C)(C)n2cncn2)CCN1C.
What is the InChIKey of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is FFEYEXKOIWFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,23-13-19-12-20-23)17(24)22-10-9-21(3)15(11-22)14-7-5-6-8-16(14)25-4/h5-8,12-13,15H,9-11H2,1-4H3.
What are the key properties of 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one?
1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-2-methyl-2-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 110109673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).