3-(2-ethylpiperidine-1-carbonyl)chromen-2-one

C17H19NO3 — CID 5133688

IUPAC3-(2-ethylpiperidine-1-carbonyl)chromen-2-one
SMILESCCC1CCCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c1-2-13-8-5-6-10-18(13)16(19)14-11-12-7-3-4-9-15(12)21-17(14)20/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3
InChIKeyYZMLCTJTDICDMD-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.20
Rot. Bonds2

About 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one

3-(2-ethylpiperidine-1-carbonyl)chromen-2-one (PubChem CID 5133688) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)chromen-2-one
PubChem CID5133688
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)chromen-2-one
SMILESCCC1CCCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c1-2-13-8-5-6-10-18(13)16(19)14-11-12-7-3-4-9-15(12)21-17(14)20/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3
InChIKeyYZMLCTJTDICDMD-UHFFFAOYSA-N
XLogP3.20
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 120587
CID 120587
CID 728535
CID 728535
CID 28914
CID 28914
CID 724217
CID 724217
CID 3559465
CID 3559465
CID 2788317
CID 2788317
CID 599283
CID 599283
CID 28913
CID 28913
CID 28912
CID 28912
CID 1143426
CID 1143426
CID 823440
CID 823440
CID 10657190
CID 10657190

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one (CID 5133688) is 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one is CCC1CCCCN1C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one?
The InChIKey is YZMLCTJTDICDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-2-13-8-5-6-10-18(13)16(19)14-11-12-7-3-4-9-15(12)21-17(14)20/h3-4,7,9,11,13H,2,5-6,8,10H2,1H3.
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one?
3-(2-ethylpiperidine-1-carbonyl)chromen-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 5133688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).