3-piperidin-4-ylchromen-2-one

C14H15NO2 — CID 118037159

IUPAC3-piperidin-4-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1C1CCNCC1
InChIInChI=1S/C14H15NO2/c16-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)17-14/h1-4,9-10,15H,5-8H2
InChIKeyYOFGMTKTSAPKBV-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.26
Rot. Bonds1

About 3-piperidin-4-ylchromen-2-one

3-piperidin-4-ylchromen-2-one (PubChem CID 118037159) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-piperidin-4-ylchromen-2-one.

Molecular Properties

Compound Name3-piperidin-4-ylchromen-2-one
PubChem CID118037159
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-piperidin-4-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1C1CCNCC1
InChIInChI=1S/C14H15NO2/c16-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)17-14/h1-4,9-10,15H,5-8H2
InChIKeyYOFGMTKTSAPKBV-UHFFFAOYSA-N
XLogP2.26
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-2,4-dien-1-ylchromen-2-one
CID 162353174
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
CID 140997606
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
2-cyclopropyl-1-benzofuran
CID 12528043
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
4-cyclohexylxanthen-1-one
CID 67846254
(2S,4R)-4-(1-benzofuran-2-yl)-2-methylpiperidine
CID 70240753
2-(1-benzofuran-2-yl)-3-ethyl-5-piperidin-4-yl-1H-indole
CID 142594360
7-piperidin-4-ylchromen-2-one
CID 158709032
3-cyclohept-4-en-1-yl-1H-quinolin-2-one
CID 71197719

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-ylchromen-2-one?
The IUPAC name of 3-piperidin-4-ylchromen-2-one (CID 118037159) is 3-piperidin-4-ylchromen-2-one.
What is the SMILES notation for 3-piperidin-4-ylchromen-2-one?
The canonical SMILES for 3-piperidin-4-ylchromen-2-one is O=c1oc2ccccc2cc1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-ylchromen-2-one?
The InChIKey is YOFGMTKTSAPKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c16-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)17-14/h1-4,9-10,15H,5-8H2.
What are the key properties of 3-piperidin-4-ylchromen-2-one?
3-piperidin-4-ylchromen-2-one has a molecular weight of 229.28 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-ylchromen-2-one is sourced from PubChem (CID 118037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).