4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

C22H24N2O3 — CID 132601710

IUPAC4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1cc(OCCCN2CCN(c3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C22H24N2O3/c25-22-17-21(19-9-4-5-10-20(19)27-22)26-16-6-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2
InChIKeyNTIRRCDOXLPXJM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.38
Rot. Bonds6

About 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one

4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (PubChem CID 132601710) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
PubChem CID132601710
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1cc(OCCCN2CCN(c3ccccc3)CC2)c2ccccc2o1
InChIInChI=1S/C22H24N2O3/c25-22-17-21(19-9-4-5-10-20(19)27-22)26-16-6-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2
InChIKeyNTIRRCDOXLPXJM-UHFFFAOYSA-N
XLogP3.38
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-morpholin-4-ylethoxy)chromen-2-one
CID 171354921
4-[2-(4-acetylpiperazin-1-yl)ethoxy]chromen-2-one
CID 171713983
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
4-[4-(2-phenylethyl)piperazin-1-yl]chromen-2-one
CID 11837123
4-methyl-7-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 11654031
7-(4-fluorophenyl)-4-(3-piperidin-1-ylpropoxy)chromen-2-one
CID 175333168
6-chloro-7-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899492
5-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
CID 24845907
4-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethoxy]chromen-2-one
CID 71698422
1-[3-[(6-fluoro-2,3-dihydro-1H-inden-5-yl)oxy]propyl]-4-phenylpiperazine
CID 3060439
4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]chromen-2-one
CID 118717718

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The IUPAC name of 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one (CID 132601710) is 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one.
What is the SMILES notation for 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The canonical SMILES for 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is O=c1cc(OCCCN2CCN(c3ccccc3)CC2)c2ccccc2o1.
What is the InChIKey of 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
The InChIKey is NTIRRCDOXLPXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-22-17-21(19-9-4-5-10-20(19)27-22)26-16-6-11-23-12-14-24(15-13-23)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2.
What are the key properties of 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one?
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one is sourced from PubChem (CID 132601710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).