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

C16H17NO3 — CID 26773752

IUPAC2-(4-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C16H17NO3/c1-11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJVBKJNCJFJLCJP-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.67
Rot. Bonds1

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

2-(4-methylpiperidine-1-carbonyl)chromen-4-one (PubChem CID 26773752) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-methylpiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(4-methylpiperidine-1-carbonyl)chromen-4-one
PubChem CID26773752
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-(4-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1
InChIInChI=1S/C16H17NO3/c1-11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3
InChIKeyJVBKJNCJFJLCJP-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

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Related Compounds

Etafenone
CID 3275
2-(4-Acetylphenoxy)-1-(1-piperidinyl)ethanone
CID 35751
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CID 2457115
Ketocaine
CID 68946
N-methylspiro[2H-1-benzopyran-2,4'-piperidine]4(3H)-one
CID 1233903
Tcmdc-123621
CID 2400619
Acetophenone, 4'-morpholinocarbonylmethoxy-
CID 34762
2-(4-Benzyl-piperidin-1-ylmethyl)-chroman-4-one
CID 11245709
2-{4-[(4-Methylpiperazin-1-Yl)carbonyl]phenyl}-4h-Chromen-4-One
CID 46742375
N-[2-(4-fluorophenyl)ethyl]-4-oxochromene-2-carboxamide
CID 2349172
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-oxochromene-2-carboxylate
CID 2356198
2-[2-Oxo-2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethoxy]benzamide
CID 2474690

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(4-methylpiperidine-1-carbonyl)chromen-4-one (CID 26773752) is 2-(4-methylpiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(4-methylpiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(4-methylpiperidine-1-carbonyl)chromen-4-one is CC1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.
What is the InChIKey of 2-(4-methylpiperidine-1-carbonyl)chromen-4-one?
The InChIKey is JVBKJNCJFJLCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-6-8-17(9-7-11)16(19)15-10-13(18)12-4-2-3-5-14(12)20-15/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperidine-1-carbonyl)chromen-4-one?
2-(4-methylpiperidine-1-carbonyl)chromen-4-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 2-(4-methylpiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 26773752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).