[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone

C21H21ClN2O2 — CID 26810605

IUPAC[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN2O2/c22-19-7-5-16(6-8-19)14-23-9-11-24(12-10-23)21(25)18-13-17-3-1-2-4-20(17)26-15-18/h1-8,13H,9-12,14-15H2
InChIKeyVPOXXUCWBBMWES-UHFFFAOYSA-N
MW368.86 g/mol
LogP3.46
Rot. Bonds3

About [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone

[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone (PubChem CID 26810605) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
PubChem CID26810605
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC Name[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
SMILESO=C(C1=Cc2ccccc2OC1)N1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H21ClN2O2/c22-19-7-5-16(6-8-19)14-23-9-11-24(12-10-23)21(25)18-13-17-3-1-2-4-20(17)26-15-18/h1-8,13H,9-12,14-15H2
InChIKeyVPOXXUCWBBMWES-UHFFFAOYSA-N
XLogP3.46
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.86
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone 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-[[4-(2H-chromene-3-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 37279433
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone
CID 55395560
2H-chromen-3-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 39968046
2H-chromen-3-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753378
2-[4-(2H-chromene-3-carbonyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 26816176
(4-benzylpiperazin-1-yl)-(5-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 131720189
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
2H-chromen-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 75538257
2H-chromen-3-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 32903114
1-(2H-chromene-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251080
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2H-chromen-3-yl)methanone
CID 55767338
(5-chlorofuran-2-yl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 29421852

Frequently Asked Questions

What is the IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone?
The IUPAC name of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone (CID 26810605) is [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone.
What is the SMILES notation for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone?
The canonical SMILES for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone is O=C(C1=Cc2ccccc2OC1)N1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone?
The InChIKey is VPOXXUCWBBMWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O2/c22-19-7-5-16(6-8-19)14-23-9-11-24(12-10-23)21(25)18-13-17-3-1-2-4-20(17)26-15-18/h1-8,13H,9-12,14-15H2.
What are the key properties of [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone?
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone has a molecular weight of 368.86 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(2H-chromen-3-yl)methanone is sourced from PubChem (CID 26810605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).