3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one

C19H17N3O3 — CID 773687

IUPAC3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17N3O3/c23-18(15-13-14-5-1-2-6-16(14)25-19(15)24)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8,13H,9-12H2
InChIKeyNFTZWFHLTIYHDJ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.15
Rot. Bonds2

About 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one

3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 773687) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
PubChem CID773687
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H17N3O3/c23-18(15-13-14-5-1-2-6-16(14)25-19(15)24)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8,13H,9-12H2
InChIKeyNFTZWFHLTIYHDJ-UHFFFAOYSA-N
XLogP2.15
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one (CID 773687) is 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is NFTZWFHLTIYHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(15-13-14-5-1-2-6-16(14)25-19(15)24)22-11-9-21(10-12-22)17-7-3-4-8-20-17/h1-8,13H,9-12H2.
What are the key properties of 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one?
3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 335.36 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 773687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).