3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one

C18H22N4O3 — CID 70787388

IUPAC3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCn3ccnc3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-25-16-4-2-3-15(13-16)18(24)22-11-9-21(10-12-22)17(23)5-7-20-8-6-19-14-20/h2-4,6,8,13-14H,5,7,9-12H2,1H3
InChIKeyGHILSNQRLKRBGE-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.27
Rot. Bonds5

About 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one

3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 70787388) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID70787388
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCn3ccnc3)CC2)c1
InChIInChI=1S/C18H22N4O3/c1-25-16-4-2-3-15(13-16)18(24)22-11-9-21(10-12-22)17(23)5-7-20-8-6-19-14-20/h2-4,6,8,13-14H,5,7,9-12H2,1H3
InChIKeyGHILSNQRLKRBGE-UHFFFAOYSA-N
XLogP1.27
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
4-imidazol-1-yl-1-[4-(4-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 70721511
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
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[3-(imidazol-1-ylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-(3-methoxyphenyl)methanone
CID 97405315
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one (CID 70787388) is 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one is COc1cccc(C(=O)N2CCN(C(=O)CCn3ccnc3)CC2)c1.
What is the InChIKey of 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is GHILSNQRLKRBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-16-4-2-3-15(13-16)18(24)22-11-9-21(10-12-22)17(23)5-7-20-8-6-19-14-20/h2-4,6,8,13-14H,5,7,9-12H2,1H3.
What are the key properties of 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 342.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 70787388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).