7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one

C23H26N2O3 — CID 14014436

IUPAC7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
SMILESCc1ccc(N2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-18-3-7-20(8-4-18)25-14-12-24(13-15-25)11-2-16-27-21-9-5-19-6-10-23(26)28-22(19)17-21/h3-10,17H,2,11-16H2,1H3
InChIKeyDDZUCNOWZPXDMJ-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.69
Rot. Bonds6

About 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one

7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one (PubChem CID 14014436) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one.

Molecular Properties

Compound Name7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
PubChem CID14014436
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
SMILESCc1ccc(N2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-18-3-7-20(8-4-18)25-14-12-24(13-15-25)11-2-16-27-21-9-5-19-6-10-23(26)28-22(19)17-21/h3-10,17H,2,11-16H2,1H3
InChIKeyDDZUCNOWZPXDMJ-UHFFFAOYSA-N
XLogP3.69
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-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

7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
CID 134098503
4-methyl-7-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 11654031
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899489
7-[2-(3,4-dimethylphenoxy)ethoxy]chromen-2-one
CID 2384022
7-[2-(4-propoxyphenoxy)ethoxy]chromen-2-one
CID 112775413
6-[3-[4-(4-chlorophenyl)-1,4-diazepan-1-yl]propoxy]-3H-1,3-benzoxazol-2-one
CID 143892744
7-(2-aminoethoxy)chromen-2-one
CID 82506816
7-(8-hydroxyoctoxy)chromen-2-one
CID 11300756
7-(6-hydroxyhexoxy)chromen-2-one
CID 11369034
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one?
The IUPAC name of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one (CID 14014436) is 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one.
What is the SMILES notation for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one?
The canonical SMILES for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one is Cc1ccc(N2CCN(CCCOc3ccc4ccc(=O)oc4c3)CC2)cc1.
What is the InChIKey of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one?
The InChIKey is DDZUCNOWZPXDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-18-3-7-20(8-4-18)25-14-12-24(13-15-25)11-2-16-27-21-9-5-19-6-10-23(26)28-22(19)17-21/h3-10,17H,2,11-16H2,1H3.
What are the key properties of 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one?
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one has a molecular weight of 378.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one is sourced from PubChem (CID 14014436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).