4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one

C19H19N3O3 — CID 16735942

IUPAC4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
SMILESO=c1cc(N2CCNCC2)c2ccc(OCc3cccnc3)cc2o1
InChIInChI=1S/C19H19N3O3/c23-19-11-17(22-8-6-20-7-9-22)16-4-3-15(10-18(16)25-19)24-13-14-2-1-5-21-12-14/h1-5,10-12,20H,6-9,13H2
InChIKeyRUNHKDDAAIZZNP-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds4

About 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one

4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one (PubChem CID 16735942) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one.

Molecular Properties

Compound Name4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
PubChem CID16735942
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
SMILESO=c1cc(N2CCNCC2)c2ccc(OCc3cccnc3)cc2o1
InChIInChI=1S/C19H19N3O3/c23-19-11-17(22-8-6-20-7-9-22)16-4-3-15(10-18(16)25-19)24-13-14-2-1-5-21-12-14/h1-5,10-12,20H,6-9,13H2
InChIKeyRUNHKDDAAIZZNP-UHFFFAOYSA-N
XLogP2.18
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 83137838
1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
4-(hydroxymethyl)-7-[[4-[[methyl(2-pyridin-3-ylethyl)amino]methyl]phenyl]methoxy]chromen-2-one
CID 177377058
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
CID 118567165
1-[3-[(3-chlorophenoxy)methyl]-4-pyridinyl]piperazine
CID 72549929
2-(2-oxo-4-propylchromen-7-yl)oxy-N-(pyridin-3-ylmethyl)acetamide
CID 4906159
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
2-chloro-4-(pyridin-3-ylmethoxy)benzaldehyde
CID 89247019
7-methoxy-2-(pyridin-3-ylmethyl)chromen-4-one
CID 127027266

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one?
The IUPAC name of 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one (CID 16735942) is 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one.
What is the SMILES notation for 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one?
The canonical SMILES for 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one is O=c1cc(N2CCNCC2)c2ccc(OCc3cccnc3)cc2o1.
What is the InChIKey of 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one?
The InChIKey is RUNHKDDAAIZZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19-11-17(22-8-6-20-7-9-22)16-4-3-15(10-18(16)25-19)24-13-14-2-1-5-21-12-14/h1-5,10-12,20H,6-9,13H2.
What are the key properties of 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one?
4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one has a molecular weight of 337.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one is sourced from PubChem (CID 16735942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).