1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone

C23H27ClN2O3 — CID 69299038

IUPAC1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1cccc(OC)c1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O3/c1-3-5-19-6-4-7-21(28-2)23(19)29-17-22(27)26-14-12-25(13-15-26)16-18-8-10-20(24)11-9-18/h3-11H,12-17H2,1-2H3
InChIKeyUWXOGMWVXCFWIH-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.10
Rot. Bonds7

About 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone

1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone (PubChem CID 69299038) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone
PubChem CID69299038
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone
SMILESCC=Cc1cccc(OC)c1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H27ClN2O3/c1-3-5-19-6-4-7-21(28-2)23(19)29-17-22(27)26-14-12-25(13-15-26)16-18-8-10-20(24)11-9-18/h3-11H,12-17H2,1-2H3
InChIKeyUWXOGMWVXCFWIH-UHFFFAOYSA-N
XLogP4.10
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone with MolForge

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Related Compounds

4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-3-methoxybenzoic acid
CID 22265114
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2,6-di(propan-2-yl)phenoxy]ethanone
CID 22264456
(E)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 26756650
2-(3-amino-2-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264376
2-(2-amino-3-methylphenoxy)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264286
2-(4-chloronaphthalen-1-yl)oxy-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 54158634
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,3,6-trichlorophenoxy)ethanone
CID 22264131
2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-fluorobenzoic acid
CID 22264040
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878289
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2,4,6-tribromo-3,5-dimethylphenoxy)ethanone
CID 22263882
4-[[4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]piperazin-1-yl]methyl]benzonitrile
CID 17463724
2-[2,6-bis(hydroxymethyl)-4-methylphenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22264424

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone?
The IUPAC name of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone (CID 69299038) is 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone.
What is the SMILES notation for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone?
The canonical SMILES for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone is CC=Cc1cccc(OC)c1OCC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone?
The InChIKey is UWXOGMWVXCFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-3-5-19-6-4-7-21(28-2)23(19)29-17-22(27)26-14-12-25(13-15-26)16-18-8-10-20(24)11-9-18/h3-11H,12-17H2,1-2H3.
What are the key properties of 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone?
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone has a molecular weight of 414.93 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(2-methoxy-6-prop-1-enylphenoxy)ethanone is sourced from PubChem (CID 69299038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).