3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one

C23H28N2O4 — CID 60591801

IUPAC3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C(OC)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-8-18(9-12-20)10-13-21(26)24-14-16-25(17-15-24)23(27)22(29-2)19-6-4-3-5-7-19/h3-9,11-12,22H,10,13-17H2,1-2H3
InChIKeyCCRFYBGOMKRNHN-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.69
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one (PubChem CID 60591801) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
PubChem CID60591801
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C(OC)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O4/c1-28-20-11-8-18(9-12-20)10-13-21(26)24-14-16-25(17-15-24)23(27)22(29-2)19-6-4-3-5-7-19/h3-9,11-12,22H,10,13-17H2,1-2H3
InChIKeyCCRFYBGOMKRNHN-UHFFFAOYSA-N
XLogP2.69
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504681
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
3,3,3-trifluoro-1-[4-[(2S)-2-methoxy-2-phenylacetyl]piperazin-1-yl]propan-1-one
CID 94822095
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-[3-(2-fluorophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 60618651
3-(4-methoxyphenyl)-1-[4-[3-(2-methylpropoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 47080708
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
1-[4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119762608

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one (CID 60591801) is 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCN(C(=O)C(OC)c3ccccc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one?
The InChIKey is CCRFYBGOMKRNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-11-8-18(9-12-20)10-13-21(26)24-14-16-25(17-15-24)23(27)22(29-2)19-6-4-3-5-7-19/h3-9,11-12,22H,10,13-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).