2-(2-methylpiperidine-1-carbonyl)chromen-4-one

C16H17NO3 — CID 4221882

IUPAC2-(2-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CCCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H17NO3/c1-11-6-4-5-9-17(11)16(19)15-10-13(18)12-7-2-3-8-14(12)20-15/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyMIXGKLNNBWIIMV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.81
Rot. Bonds1

About 2-(2-methylpiperidine-1-carbonyl)chromen-4-one

2-(2-methylpiperidine-1-carbonyl)chromen-4-one (PubChem CID 4221882) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2-methylpiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(2-methylpiperidine-1-carbonyl)chromen-4-one
PubChem CID4221882
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(2-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CCCCN1C(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C16H17NO3/c1-11-6-4-5-9-17(11)16(19)15-10-13(18)12-7-2-3-8-14(12)20-15/h2-3,7-8,10-11H,4-6,9H2,1H3
InChIKeyMIXGKLNNBWIIMV-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(2-methylpiperidine-1-carbonyl)chromen-4-one (CID 4221882) is 2-(2-methylpiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(2-methylpiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(2-methylpiperidine-1-carbonyl)chromen-4-one is CC1CCCCN1C(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of 2-(2-methylpiperidine-1-carbonyl)chromen-4-one?
The InChIKey is MIXGKLNNBWIIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-4-5-9-17(11)16(19)15-10-13(18)12-7-2-3-8-14(12)20-15/h2-3,7-8,10-11H,4-6,9H2,1H3.
What are the key properties of 2-(2-methylpiperidine-1-carbonyl)chromen-4-one?
2-(2-methylpiperidine-1-carbonyl)chromen-4-one has a molecular weight of 271.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 4221882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).