5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one

C20H25NO5 — CID 54592201

IUPAC5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCCCC3)c(OC)cc(OC)c12
InChIInChI=1S/C20H25NO5/c1-4-8-13-11-16(22)26-19-17(13)14(24-2)12-15(25-3)18(19)20(23)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3
InChIKeyUYHGIFKOTHACEO-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.39
Rot. Bonds5

About 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one

5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one (PubChem CID 54592201) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one
PubChem CID54592201
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2c(C(=O)N3CCCCC3)c(OC)cc(OC)c12
InChIInChI=1S/C20H25NO5/c1-4-8-13-11-16(22)26-19-17(13)14(24-2)12-15(25-3)18(19)20(23)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3
InChIKeyUYHGIFKOTHACEO-UHFFFAOYSA-N
XLogP3.39
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.39
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 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one?
The IUPAC name of 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one (CID 54592201) is 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one.
What is the SMILES notation for 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one?
The canonical SMILES for 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one is CCCc1cc(=O)oc2c(C(=O)N3CCCCC3)c(OC)cc(OC)c12.
What is the InChIKey of 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one?
The InChIKey is UYHGIFKOTHACEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-4-8-13-11-16(22)26-19-17(13)14(24-2)12-15(25-3)18(19)20(23)21-9-6-5-7-10-21/h11-12H,4-10H2,1-3H3.
What are the key properties of 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one?
5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one has a molecular weight of 359.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-8-(piperidine-1-carbonyl)-4-propylchromen-2-one is sourced from PubChem (CID 54592201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).