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

C23H30N2O3 — CID 110412228

IUPAC3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(CCc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-27-21-8-5-6-19(18-21)10-11-23(26)25-16-14-24(15-17-25)13-12-20-7-3-4-9-22(20)28-2/h3-9,18H,10-17H2,1-2H3
InChIKeyYRKOGTZRKIZUOU-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.02
Rot. Bonds8

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

3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one (PubChem CID 110412228) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
PubChem CID110412228
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCN(CCc3ccccc3OC)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-27-21-8-5-6-19(18-21)10-11-23(26)25-16-14-24(15-17-25)13-12-20-7-3-4-9-22(20)28-2/h3-9,18H,10-17H2,1-2H3
InChIKeyYRKOGTZRKIZUOU-UHFFFAOYSA-N
XLogP3.02
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110412088
3-(3-methoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 34318339
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
1-(4-acetyl-1,4-diazepan-1-yl)-3-(3-methoxyphenyl)propan-1-one
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3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
3-(3-methoxyphenyl)-1-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 110409956
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756
3-(3-methoxyphenyl)-1-(4-propanoyl-1,4-diazepan-1-yl)propan-1-one
CID 110796477
1-[4-[3-(3-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 110796689
3-(3-methoxyphenyl)-1-[4-(1-phenylpropan-2-yl)piperazin-1-yl]propan-1-one
CID 110399607
3-(2-methoxyphenyl)-1-[4-(3-oxo-3-phenylpropyl)piperazin-1-yl]propan-1-one
CID 110398643
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one (CID 110412228) is 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCN(CCc3ccccc3OC)CC2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one?
The InChIKey is YRKOGTZRKIZUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-27-21-8-5-6-19(18-21)10-11-23(26)25-16-14-24(15-17-25)13-12-20-7-3-4-9-22(20)28-2/h3-9,18H,10-17H2,1-2H3.
What are the key properties of 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one?
3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one has a molecular weight of 382.50 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-1-[4-[2-(2-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110412228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).