1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

C27H33N3O4 — CID 56504681

IUPAC1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-34-23-13-10-21(11-14-23)12-15-24(31)28-17-19-29(20-18-28)27(33)26(22-7-3-2-4-8-22)30-16-6-5-9-25(30)32/h2-4,7-8,10-11,13-14,26H,5-6,9,12,15-20H2,1H3
InChIKeyVWFMQPUDUZPXEO-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.05
Rot. Bonds7

About 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one

1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (PubChem CID 56504681) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
PubChem CID56504681
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)cc1
InChIInChI=1S/C27H33N3O4/c1-34-23-13-10-21(11-14-23)12-15-24(31)28-17-19-29(20-18-28)27(33)26(22-7-3-2-4-8-22)30-16-6-5-9-25(30)32/h2-4,7-8,10-11,13-14,26H,5-6,9,12,15-20H2,1H3
InChIKeyVWFMQPUDUZPXEO-UHFFFAOYSA-N
XLogP3.05
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one with MolForge

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Related Compounds

3-(4-methoxyphenyl)-1-[4-(2-methoxy-2-phenylacetyl)piperazin-1-yl]propan-1-one
CID 60591801
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[2-(3-methoxypiperidin-1-yl)-2-oxo-1-phenylethyl]piperidin-2-one
CID 75420204
1-[2-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56504647
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
1-[4-[3-(2-fluorophenyl)sulfanylpropanoyl]-1,4-diazepan-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 60618651
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1-[2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56514843
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253
1-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one
CID 56506103

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The IUPAC name of 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one (CID 56504681) is 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is COc1ccc(CCC(=O)N2CCN(C(=O)C(c3ccccc3)N3CCCCC3=O)CC2)cc1.
What is the InChIKey of 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
The InChIKey is VWFMQPUDUZPXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-34-23-13-10-21(11-14-23)12-15-24(31)28-17-19-29(20-18-28)27(33)26(22-7-3-2-4-8-22)30-16-6-5-9-25(30)32/h2-4,7-8,10-11,13-14,26H,5-6,9,12,15-20H2,1H3.
What are the key properties of 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one?
1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one has a molecular weight of 463.58 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 56504681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).