4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one

C21H22N2O2 — CID 11837123

IUPAC4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
SMILESO=c1cc(N2CCN(CCc3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C21H22N2O2/c24-21-16-19(18-8-4-5-9-20(18)25-21)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyKHLUWHSELMQXSO-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.16
Rot. Bonds4

About 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one

4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one (PubChem CID 11837123) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one.

Molecular Properties

Compound Name4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
PubChem CID11837123
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
SMILESO=c1cc(N2CCN(CCc3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C21H22N2O2/c24-21-16-19(18-8-4-5-9-20(18)25-21)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2
InChIKeyKHLUWHSELMQXSO-UHFFFAOYSA-N
XLogP3.16
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

9-[4-(2-phenylethyl)piperazin-1-yl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
CID 3044295
4-(4-benzylpiperazin-1-yl)benzo[h]chromen-2-one
CID 155532553
4-[4-(2-phenylethyl)piperazin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 35784873
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
N-(2-methoxyphenyl)-2-[4-(2-oxochromen-4-yl)piperazin-1-yl]acetamide
CID 72715202
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
[4-[4-(2-phenylethyl)piperazin-1-yl]-1-benzothiophen-2-yl]methanamine;dihydrochloride
CID 19919596
5-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]benzimidazol-2-one;hydrochloride
CID 22464414
4-morpholin-4-yl-7-phenylchromen-2-one
CID 46891260
2-fluoro-3-[4-(2-phenylethyl)piperazin-1-yl]benzoic acid
CID 15289956
4-(4-benzylpiperazin-1-yl)-1H-quinolin-2-one
CID 13317108
5-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]benzonitrile
CID 23111514

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one?
The IUPAC name of 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one (CID 11837123) is 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one.
What is the SMILES notation for 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one?
The canonical SMILES for 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one is O=c1cc(N2CCN(CCc3ccccc3)CC2)c2ccccc2o1.
What is the InChIKey of 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one?
The InChIKey is KHLUWHSELMQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21-16-19(18-8-4-5-9-20(18)25-21)23-14-12-22(13-15-23)11-10-17-6-2-1-3-7-17/h1-9,16H,10-15H2.
What are the key properties of 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one?
4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one is sourced from PubChem (CID 11837123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).