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

C17H25N3O3 — CID 110603347

IUPAC3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-18(2)8-7-16(21)19-9-11-20(12-10-19)17(22)14-5-4-6-15(13-14)23-3/h4-6,13H,7-12H2,1-3H3
InChIKeyGBOPYJJWWWCPAW-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.93
Rot. Bonds5

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

3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 110603347) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
PubChem CID110603347
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)c1
InChIInChI=1S/C17H25N3O3/c1-18(2)8-7-16(21)19-9-11-20(12-10-19)17(22)14-5-4-6-15(13-14)23-3/h4-6,13H,7-12H2,1-3H3
InChIKeyGBOPYJJWWWCPAW-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

1-[4-[3-(dimethylamino)propanoyl]piperazin-1-yl]-4-(3-methoxyphenyl)butane-1,4-dione
CID 110611602
3-(dimethylamino)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603348
1-[4-(3-bromobenzoyl)piperazin-1-yl]-3-(dimethylamino)propan-1-one
CID 110603342
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605
N-[3-[4-[3-(dimethylamino)propanoyl]piperazine-1-carbonyl]phenyl]acetamide
CID 110666185
1-[4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 55885232
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980904
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
3-(4-chlorophenyl)-1-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544951
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one (CID 110603347) is 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one is COc1cccc(C(=O)N2CCN(C(=O)CCN(C)C)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is GBOPYJJWWWCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-18(2)8-7-16(21)19-9-11-20(12-10-19)17(22)14-5-4-6-15(13-14)23-3/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one?
3-(dimethylamino)-1-[4-(3-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-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110603347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).