1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one

C17H24N2O4 — CID 110109426

IUPAC1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)16(12-18)14-4-6-15(23-3)7-5-14/h4-7,16H,8-12H2,1-3H3
InChIKeyBKQGWDMCMFTEKP-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.46
Rot. Bonds5

About 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one

1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 110109426) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID110109426
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(C)=O)CC1c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)16(12-18)14-4-6-15(23-3)7-5-14/h4-7,16H,8-12H2,1-3H3
InChIKeyBKQGWDMCMFTEKP-UHFFFAOYSA-N
XLogP1.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-acetyl-2-phenylpiperazin-1-yl]-3-methoxypropan-1-one
CID 125013501
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488
1-[3-(4-methoxyphenyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 110109440
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
CID 110109749
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
1-[(3R)-3-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 124960055
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
N-[1-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-(2-fluorophenyl)acetamide
CID 124990550
1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 155986617
1-[(3R)-4-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 124999677
1-[4-acetyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 68688695

Frequently Asked Questions

What is the IUPAC name of 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 110109426) is 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(C(C)=O)CC1c1ccc(OC)cc1.
What is the InChIKey of 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is BKQGWDMCMFTEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(20)18-9-10-19(17(21)8-11-22-2)16(12-18)14-4-6-15(23-3)7-5-14/h4-7,16H,8-12H2,1-3H3.
What are the key properties of 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 320.39 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 110109426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).