4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide

C21H25N3O4 — CID 120735273

IUPAC4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-27-19-5-3-2-4-17(19)18-14-23-11-12-24(18)20(25)10-13-28-16-8-6-15(7-9-16)21(22)26/h2-9,18,23H,10-14H2,1H3,(H2,22,26)
InChIKeyVHKGJWJAFBJMFF-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.74
Rot. Bonds7

About 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide

4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide (PubChem CID 120735273) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide.

Molecular Properties

Compound Name4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
PubChem CID120735273
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide
SMILESCOc1ccccc1C1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C21H25N3O4/c1-27-19-5-3-2-4-17(19)18-14-23-11-12-24(18)20(25)10-13-28-16-8-6-15(7-9-16)21(22)26/h2-9,18,23H,10-14H2,1H3,(H2,22,26)
InChIKeyVHKGJWJAFBJMFF-UHFFFAOYSA-N
XLogP1.74
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[2-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide;hydrochloride
CID 120732884
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenoxybutan-1-one
CID 120733673
4-[3-(2-methylpiperazin-1-yl)-3-oxopropoxy]benzamide
CID 119471304
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
3-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 120735115
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 120733025
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanylethanone;hydrochloride
CID 120735083
1-[2-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 120734985
2-(diethylamino)-1-[2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 120733069

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide?
The IUPAC name of 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide (CID 120735273) is 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide.
What is the SMILES notation for 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide?
The canonical SMILES for 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide is COc1ccccc1C1CNCCN1C(=O)CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide?
The InChIKey is VHKGJWJAFBJMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-19-5-3-2-4-17(19)18-14-23-11-12-24(18)20(25)10-13-28-16-8-6-15(7-9-16)21(22)26/h2-9,18,23H,10-14H2,1H3,(H2,22,26).
What are the key properties of 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide?
4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide has a molecular weight of 383.45 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropoxy]benzamide is sourced from PubChem (CID 120735273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).