3-(3-piperidin-1-ylpropanoyl)chromen-2-one

C17H19NO3 — CID 25156895

IUPAC3-(3-piperidin-1-ylpropanoyl)chromen-2-one
SMILESO=C(CCN1CCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c19-15(8-11-18-9-4-1-5-10-18)14-12-13-6-2-3-7-16(13)21-17(14)20/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyLPZVVWJZHSOCDD-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.85
Rot. Bonds4

About 3-(3-piperidin-1-ylpropanoyl)chromen-2-one

3-(3-piperidin-1-ylpropanoyl)chromen-2-one (PubChem CID 25156895) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-(3-piperidin-1-ylpropanoyl)chromen-2-one.

Molecular Properties

Compound Name3-(3-piperidin-1-ylpropanoyl)chromen-2-one
PubChem CID25156895
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-(3-piperidin-1-ylpropanoyl)chromen-2-one
SMILESO=C(CCN1CCCCC1)c1cc2ccccc2oc1=O
InChIInChI=1S/C17H19NO3/c19-15(8-11-18-9-4-1-5-10-18)14-12-13-6-2-3-7-16(13)21-17(14)20/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyLPZVVWJZHSOCDD-UHFFFAOYSA-N
XLogP2.85
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
CID 25156898
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
3-[3-(4-benzylpiperazin-1-yl)propanoyl]-7-hydroxychromen-2-one
CID 155543148
3-[2-(azepan-1-yl)ethylsulfanyl]chromen-2-one
CID 134066933
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]chromen-2-one
CID 35610527
2-oxochromene-3-carboxylic acid
CID 161011590
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
2-oxo-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]chromene-3-carboxamide
CID 91958035
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-[2-(2-aminophenyl)sulfanylacetyl]chromen-2-one
CID 8553851

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-1-ylpropanoyl)chromen-2-one?
The IUPAC name of 3-(3-piperidin-1-ylpropanoyl)chromen-2-one (CID 25156895) is 3-(3-piperidin-1-ylpropanoyl)chromen-2-one.
What is the SMILES notation for 3-(3-piperidin-1-ylpropanoyl)chromen-2-one?
The canonical SMILES for 3-(3-piperidin-1-ylpropanoyl)chromen-2-one is O=C(CCN1CCCCC1)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(3-piperidin-1-ylpropanoyl)chromen-2-one?
The InChIKey is LPZVVWJZHSOCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15(8-11-18-9-4-1-5-10-18)14-12-13-6-2-3-7-16(13)21-17(14)20/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 3-(3-piperidin-1-ylpropanoyl)chromen-2-one?
3-(3-piperidin-1-ylpropanoyl)chromen-2-one has a molecular weight of 285.34 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-1-ylpropanoyl)chromen-2-one is sourced from PubChem (CID 25156895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).