3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

C25H28N2O3 — CID 60601108

IUPAC3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O3/c1-29-23-11-4-5-12-24(23)30-18-13-25(28)27-16-14-26(15-17-27)19-21-9-6-8-20-7-2-3-10-22(20)21/h2-12H,13-19H2,1H3
InChIKeyCFTSXSUXXOMFQT-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.96
Rot. Bonds7

About 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one

3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 60601108) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID60601108
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCOc1ccccc1OCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C25H28N2O3/c1-29-23-11-4-5-12-24(23)30-18-13-25(28)27-16-14-26(15-17-27)19-21-9-6-8-20-7-2-3-10-22(20)21/h2-12H,13-19H2,1H3
InChIKeyCFTSXSUXXOMFQT-UHFFFAOYSA-N
XLogP3.96
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-naphthalen-1-yloxy-1-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one
CID 55713085
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]butan-1-one
CID 60601295
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-3-(2-methylphenoxy)propan-1-one
CID 9318967
1-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 110398993
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 9397565
2-(2-methoxy-5-nitrophenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone
CID 38897906
1-[4-(2-aminoacetyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-1-one
CID 4740302
3-(2-fluorophenyl)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one
CID 9398051
4-[4-[3-(2-methoxyphenoxy)propanoyl]piperazine-1-carbonyl]benzoic acid
CID 4740273
1-[4-[(4-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]ethanone
CID 135293907

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one (CID 60601108) is 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is COc1ccccc1OCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is CFTSXSUXXOMFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-29-23-11-4-5-12-24(23)30-18-13-25(28)27-16-14-26(15-17-27)19-21-9-6-8-20-7-2-3-10-22(20)21/h2-12H,13-19H2,1H3.
What are the key properties of 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one?
3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 404.51 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60601108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).