2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

C21H26N2O4 — CID 17395855

IUPAC2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1cc(OC)cc(OC(C)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-16(27-20-14-18(25-2)13-19(15-20)26-3)21(24)23-11-9-22(10-12-23)17-7-5-4-6-8-17/h4-8,13-16H,9-12H2,1-3H3
InChIKeySHOZGJJKCGULSP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds6

About 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one

2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 17395855) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID17395855
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCOc1cc(OC)cc(OC(C)C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2O4/c1-16(27-20-14-18(25-2)13-19(15-20)26-3)21(24)23-11-9-22(10-12-23)17-7-5-4-6-8-17/h4-8,13-16H,9-12H2,1-3H3
InChIKeySHOZGJJKCGULSP-UHFFFAOYSA-N
XLogP2.82
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
(2S)-2-(4-tert-butylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 7428494
2-(4-nitrophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2970972
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(2-methylphenoxy)propan-1-one
CID 4039169
(2S)-2-(2-ethylphenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 92646949
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17193924
2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 3393677
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)propan-1-one
CID 40696539
(2S)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220793
(2R)-2-(4-chloro-2-methylphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 1220794

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 17395855) is 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is COc1cc(OC)cc(OC(C)C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is SHOZGJJKCGULSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-16(27-20-14-18(25-2)13-19(15-20)26-3)21(24)23-11-9-22(10-12-23)17-7-5-4-6-8-17/h4-8,13-16H,9-12H2,1-3H3.
What are the key properties of 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one?
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 370.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17395855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).