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

C23H30N2O2 — CID 110399607

IUPAC3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-19(17-20-7-4-3-5-8-20)24-13-15-25(16-14-24)23(26)12-11-21-9-6-10-22(18-21)27-2/h3-10,18-19H,11-17H2,1-2H3
InChIKeyDOKVTOBNMMSJQQ-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.40
Rot. Bonds7

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

3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110399607) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110399607
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(C(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H30N2O2/c1-19(17-20-7-4-3-5-8-20)24-13-15-25(16-14-24)23(26)12-11-21-9-6-10-22(18-21)27-2/h3-10,18-19H,11-17H2,1-2H3
InChIKeyDOKVTOBNMMSJQQ-UHFFFAOYSA-N
XLogP3.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
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3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
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1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
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3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
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1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
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4-[3-(3-methoxyphenyl)propanoyl]-N,N-dimethylpiperazine-1-sulfonamide
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3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
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3-(3-methoxyphenyl)-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one (CID 110399607) is 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCN(C(C)Cc3ccccc3)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is DOKVTOBNMMSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-19(17-20-7-4-3-5-8-20)24-13-15-25(16-14-24)23(26)12-11-21-9-6-10-22(18-21)27-2/h3-10,18-19H,11-17H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 366.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110399607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).