7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one

C26H26N2O3 — CID 134098503

IUPAC7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc2o1
InChIInChI=1S/C26H26N2O3/c29-26-12-10-21-9-11-22(19-25(21)31-26)30-18-4-13-27-14-16-28(17-15-27)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2
InChIKeyAGZAXDLMDLGODF-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.54
Rot. Bonds6

About 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one

7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one (PubChem CID 134098503) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one.

Molecular Properties

Compound Name7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
PubChem CID134098503
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc2o1
InChIInChI=1S/C26H26N2O3/c29-26-12-10-21-9-11-22(19-25(21)31-26)30-18-4-13-27-14-16-28(17-15-27)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2
InChIKeyAGZAXDLMDLGODF-UHFFFAOYSA-N
XLogP4.54
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.54
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

7-[3-[4-(3-chlorophenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014437
7-[3-[4-(4-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 14014436
4-[3-(4-naphthalen-1-ylpiperazin-1-yl)propylamino]chromen-2-one;hydrochloride
CID 121417612
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-phenylchromen-2-one
CID 56971557
4-methyl-7-[3-[4-(3-methylphenyl)piperazin-1-yl]propoxy]chromen-2-one
CID 11654031
7-[2-[4-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]piperazin-1-yl]ethoxy]chromen-2-one
CID 118734725
8-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 14014460
9-[3-(4-quinolin-8-ylpiperazin-1-yl)propoxy]furo[3,2-g]chromen-7-one
CID 10527744
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 15431691
4-[3-(4-phenylpiperazin-1-yl)propoxy]chromen-2-one
CID 132601710
7-(2-aminoethoxy)chromen-2-one
CID 82506816

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one?
The IUPAC name of 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one (CID 134098503) is 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one.
What is the SMILES notation for 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one?
The canonical SMILES for 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one is O=c1ccc2ccc(OCCCN3CCN(c4cccc5ccccc45)CC3)cc2o1.
What is the InChIKey of 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one?
The InChIKey is AGZAXDLMDLGODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-26-12-10-21-9-11-22(19-25(21)31-26)30-18-4-13-27-14-16-28(17-15-27)24-8-3-6-20-5-1-2-7-23(20)24/h1-3,5-12,19H,4,13-18H2.
What are the key properties of 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one?
7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one has a molecular weight of 414.51 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-naphthalen-1-ylpiperazin-1-yl)propoxy]chromen-2-one is sourced from PubChem (CID 134098503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).