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

C19H28N2O4 — CID 51093616

IUPAC1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)CCOC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-15(2)25-12-7-18(22)20-8-10-21(11-9-20)19(23)14-16-5-4-6-17(13-16)24-3/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeyPZIAFIJWYAHLOB-UHFFFAOYSA-N
MW348.44 g/mol
LogP1.72
Rot. Bonds7

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

1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one (PubChem CID 51093616) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one.

Molecular Properties

Compound Name1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
PubChem CID51093616
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)CCOC(C)C)CC2)c1
InChIInChI=1S/C19H28N2O4/c1-15(2)25-12-7-18(22)20-8-10-21(11-9-20)19(23)14-16-5-4-6-17(13-16)24-3/h4-6,13,15H,7-12,14H2,1-3H3
InChIKeyPZIAFIJWYAHLOB-UHFFFAOYSA-N
XLogP1.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]pentan-1-one
CID 110797234
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
(3S)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butanenitrile
CID 95587037

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The IUPAC name of 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one (CID 51093616) is 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one.
What is the SMILES notation for 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The canonical SMILES for 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one is COc1cccc(CC(=O)N2CCN(C(=O)CCOC(C)C)CC2)c1.
What is the InChIKey of 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
The InChIKey is PZIAFIJWYAHLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-15(2)25-12-7-18(22)20-8-10-21(11-9-20)19(23)14-16-5-4-6-17(13-16)24-3/h4-6,13,15H,7-12,14H2,1-3H3.
What are the key properties of 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one?
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one has a molecular weight of 348.44 g/mol, XLogP of 1.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one is sourced from PubChem (CID 51093616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).