1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C17H21N5O3 — CID 70743445

IUPAC1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCn3cncn3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-25-15-4-2-3-14(11-15)17(24)21-9-7-20(8-10-21)16(23)5-6-22-13-18-12-19-22/h2-4,11-13H,5-10H2,1H3
InChIKeyPPXXGSXSVGMUGA-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.66
Rot. Bonds5

About 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 70743445) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID70743445
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCn3cncn3)CC2)c1
InChIInChI=1S/C17H21N5O3/c1-25-15-4-2-3-14(11-15)17(24)21-9-7-20(8-10-21)16(23)5-6-22-13-18-12-19-22/h2-4,11-13H,5-10H2,1H3
InChIKeyPPXXGSXSVGMUGA-UHFFFAOYSA-N
XLogP0.66
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one with MolForge

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Related Compounds

3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
2-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 70751844
2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38046949

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 70743445) is 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is COc1cccc(C(=O)N2CCN(C(=O)CCn3cncn3)CC2)c1.
What is the InChIKey of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is PPXXGSXSVGMUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-25-15-4-2-3-14(11-15)17(24)21-9-7-20(8-10-21)16(23)5-6-22-13-18-12-19-22/h2-4,11-13H,5-10H2,1H3.
What are the key properties of 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 343.39 g/mol, XLogP of 0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 70743445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).