5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one

C28H25ClN2O4 — CID 22264734

IUPAC5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one
SMILESO=C(COc1cccc2oc(-c3ccccc3)cc(=O)c12)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H25ClN2O4/c29-22-11-9-20(10-12-22)18-30-13-15-31(16-14-30)27(33)19-34-24-7-4-8-25-28(24)23(32)17-26(35-25)21-5-2-1-3-6-21/h1-12,17H,13-16,18-19H2
InChIKeyFNECKLVSDJQYFC-UHFFFAOYSA-N
MW488.97 g/mol
LogP4.84
Rot. Bonds6

About 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one

5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one (PubChem CID 22264734) has the molecular formula C28H25ClN2O4 and a molecular weight of 488.97 g/mol. Its IUPAC name is 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one.

Molecular Properties

Compound Name5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one
PubChem CID22264734
Molecular FormulaC28H25ClN2O4
Molecular Weight488.97 g/mol
Exact Mass488.15
IUPAC Name5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one
SMILESO=C(COc1cccc2oc(-c3ccccc3)cc(=O)c12)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H25ClN2O4/c29-22-11-9-20(10-12-22)18-30-13-15-31(16-14-30)27(33)19-34-24-7-4-8-25-28(24)23(32)17-26(35-25)21-5-2-1-3-6-21/h1-12,17H,13-16,18-19H2
InChIKeyFNECKLVSDJQYFC-UHFFFAOYSA-N
XLogP4.84
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-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

2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-6-fluorobenzoic acid
CID 22264040
2-[2-(1,3-benzoxazol-2-yl)phenoxy]-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 22263702
3-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-7-hydroxy-2-phenylchromen-4-one
CID 22264820
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-(trifluoromethyl)phenoxy]ethanone
CID 22265251
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
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
ethyl 2-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]benzoate
CID 22264628
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-(2,3,4-trifluorophenoxy)ethanone
CID 22264972
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-[2,6-di(propan-2-yl)phenoxy]ethanone
CID 22264456

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one?
The IUPAC name of 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one (CID 22264734) is 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one.
What is the SMILES notation for 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one?
The canonical SMILES for 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one is O=C(COc1cccc2oc(-c3ccccc3)cc(=O)c12)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one?
The InChIKey is FNECKLVSDJQYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O4/c29-22-11-9-20(10-12-22)18-30-13-15-31(16-14-30)27(33)19-34-24-7-4-8-25-28(24)23(32)17-26(35-25)21-5-2-1-3-6-21/h1-12,17H,13-16,18-19H2.
What are the key properties of 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one?
5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one has a molecular weight of 488.97 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]-2-phenylchromen-4-one is sourced from PubChem (CID 22264734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).