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

C16H17NO3 — CID 4517368

IUPAC3-(3-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCC1CCCN(C(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C16H17NO3/c1-11-5-4-8-17(10-11)15(18)13-9-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3
InChIKeyQXOARIDASXLJBF-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds1

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

3-(3-methylpiperidine-1-carbonyl)chromen-2-one (PubChem CID 4517368) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-(3-methylpiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(3-methylpiperidine-1-carbonyl)chromen-2-one
PubChem CID4517368
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-(3-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCC1CCCN(C(=O)c2cc3ccccc3oc2=O)C1
InChIInChI=1S/C16H17NO3/c1-11-5-4-8-17(10-11)15(18)13-9-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3
InChIKeyQXOARIDASXLJBF-UHFFFAOYSA-N
XLogP2.67
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(3-methylpiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(3-methylpiperidine-1-carbonyl)chromen-2-one (CID 4517368) is 3-(3-methylpiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(3-methylpiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(3-methylpiperidine-1-carbonyl)chromen-2-one is CC1CCCN(C(=O)c2cc3ccccc3oc2=O)C1.
What is the InChIKey of 3-(3-methylpiperidine-1-carbonyl)chromen-2-one?
The InChIKey is QXOARIDASXLJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-5-4-8-17(10-11)15(18)13-9-12-6-2-3-7-14(12)20-16(13)19/h2-3,6-7,9,11H,4-5,8,10H2,1H3.
What are the key properties of 3-(3-methylpiperidine-1-carbonyl)chromen-2-one?
3-(3-methylpiperidine-1-carbonyl)chromen-2-one has a molecular weight of 271.32 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 4517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).