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

C17H25N3O3 — CID 110603348

IUPAC3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-18(2)9-8-16(21)19-10-12-20(13-11-19)17(22)14-4-6-15(23-3)7-5-14/h4-7H,8-13H2,1-3H3
InChIKeyARGQVJBIRKQXRO-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.93
Rot. Bonds5

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

3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110603348) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110603348
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)cc1
InChIInChI=1S/C17H25N3O3/c1-18(2)9-8-16(21)19-10-12-20(13-11-19)17(22)14-4-6-15(23-3)7-5-14/h4-7H,8-13H2,1-3H3
InChIKeyARGQVJBIRKQXRO-UHFFFAOYSA-N
XLogP0.93
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(3-methoxyphenyl)butane-1,4-dione
CID 110611602
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
2-(4-acetylanilino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 90276084
1-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-4-(4-methylphenoxy)butan-1-one
CID 108543863
(4-methoxyphenyl)-(4-methylidenepiperidin-1-yl)methanone
CID 10657158
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 38321798
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one (CID 110603348) is 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one is COc1ccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)cc1.
What is the InChIKey of 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is ARGQVJBIRKQXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-18(2)9-8-16(21)19-10-12-20(13-11-19)17(22)14-4-6-15(23-3)7-5-14/h4-7H,8-13H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 319.41 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).