6-chloro-3-(piperidine-1-carbonyl)chromen-4-one

C15H14ClNO3 — CID 42882768

IUPAC6-chloro-3-(piperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1coc2ccc(Cl)cc2c1=O)N1CCCCC1
InChIInChI=1S/C15H14ClNO3/c16-10-4-5-13-11(8-10)14(18)12(9-20-13)15(19)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyAPAQEHUXRZPBBV-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.07
Rot. Bonds1

About 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one

6-chloro-3-(piperidine-1-carbonyl)chromen-4-one (PubChem CID 42882768) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-(piperidine-1-carbonyl)chromen-4-one
PubChem CID42882768
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name6-chloro-3-(piperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1coc2ccc(Cl)cc2c1=O)N1CCCCC1
InChIInChI=1S/C15H14ClNO3/c16-10-4-5-13-11(8-10)14(18)12(9-20-13)15(19)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2
InChIKeyAPAQEHUXRZPBBV-UHFFFAOYSA-N
XLogP3.07
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepan-1-ylmethyl)-6-chlorochromen-4-one
CID 783077
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
3-(4-methylpiperazine-1-carbonyl)chromen-4-one;hydrochloride
CID 90673468
azepan-1-yl-(5-chloro-2-hydrazinylphenyl)methanone
CID 62248828
azocan-1-yl-[5-chloro-2-(methylamino)phenyl]methanone
CID 62173337
6-chloro-3-[[2-(hydroxymethyl)piperidin-1-yl]methyl]chromen-4-one
CID 2845997
(4-chloro-2-nitrophenyl)-piperidin-1-ylmethanone
CID 874551
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
6-(azepane-1-carbonyl)-2-chloropyrido[2,1-b]quinazolin-11-one
CID 3525348
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
6-bromo-4-oxochromene-3-carboxylic acid
CID 2756898
3-(6-chloro-4-oxochromen-3-yl)prop-2-enoate
CID 3387838

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one (CID 42882768) is 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one is O=C(c1coc2ccc(Cl)cc2c1=O)N1CCCCC1.
What is the InChIKey of 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one?
The InChIKey is APAQEHUXRZPBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-10-4-5-13-11(8-10)14(18)12(9-20-13)15(19)17-6-2-1-3-7-17/h4-5,8-9H,1-3,6-7H2.
What are the key properties of 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one?
6-chloro-3-(piperidine-1-carbonyl)chromen-4-one has a molecular weight of 291.73 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(piperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 42882768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).