3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

C20H28FN3O4 — CID 55496468

IUPAC3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F
InChIInChI=1S/C20H28FN3O4/c1-27-18-4-2-16(14-17(18)21)3-5-19(25)23-6-8-24(9-7-23)20(26)15-22-10-12-28-13-11-22/h2,4,14H,3,5-13,15H2,1H3
InChIKeyZZSAIVQWGLUKBQ-UHFFFAOYSA-N
MW393.46 g/mol
LogP0.77
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one

3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 55496468) has the molecular formula C20H28FN3O4 and a molecular weight of 393.46 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
PubChem CID55496468
Molecular FormulaC20H28FN3O4
Molecular Weight393.46 g/mol
Exact Mass393.21
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F
InChIInChI=1S/C20H28FN3O4/c1-27-18-4-2-16(14-17(18)21)3-5-19(25)23-6-8-24(9-7-23)20(26)15-22-10-12-28-13-11-22/h2,4,14H,3,5-13,15H2,1H3
InChIKeyZZSAIVQWGLUKBQ-UHFFFAOYSA-N
XLogP0.77
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

N-butan-2-yl-2-[4-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperazin-1-yl]acetamide
CID 134043909
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 86923254
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 119373451
3-(3-fluoro-4-methoxyphenyl)-1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134010080
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxamide
CID 51275806
1-[3-(3-fluoro-4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 75405723
1-(4-aminopiperidin-1-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119373450
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one;hydrochloride
CID 119517359
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55454407
1-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 55617869
3-(3-fluoro-4-methoxyphenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119543300
1-(4-ethyl-1,4-diazepan-1-yl)-4-(3-fluoro-4-methoxyphenyl)butan-1-one
CID 71974001

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one (CID 55496468) is 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZZSAIVQWGLUKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O4/c1-27-18-4-2-16(14-17(18)21)3-5-19(25)23-6-8-24(9-7-23)20(26)15-22-10-12-28-13-11-22/h2,4,14H,3,5-13,15H2,1H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one?
3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 393.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 55496468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).