3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one

C18H21NO3 — CID 25156898

IUPAC3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
SMILESCC1CCN(CCC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C18H21NO3/c1-13-6-9-19(10-7-13)11-8-16(20)15-12-14-4-2-3-5-17(14)22-18(15)21/h2-5,12-13H,6-11H2,1H3
InChIKeyDEGUKAYECQMCLD-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.10
Rot. Bonds4

About 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one

3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one (PubChem CID 25156898) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one.

Molecular Properties

Compound Name3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
PubChem CID25156898
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
SMILESCC1CCN(CCC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C18H21NO3/c1-13-6-9-19(10-7-13)11-8-16(20)15-12-14-4-2-3-5-17(14)22-18(15)21/h2-5,12-13H,6-11H2,1H3
InChIKeyDEGUKAYECQMCLD-UHFFFAOYSA-N
XLogP3.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-piperidin-1-ylpropanoyl)chromen-2-one
CID 25156895
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 111112743
3-[3-(4-benzylpiperazin-1-yl)propanoyl]-7-hydroxychromen-2-one
CID 155543148
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
CID 2347966
1-(1-benzofuran-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 71757920
2-oxochromene-3-carboxylic acid
CID 161011590
3-[4-[2-(1,3-dioxolan-2-yl)ethyl]piperazine-1-carbonyl]chromen-2-one
CID 171911816
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
ethane;hexane;propane;3-propanoylchromen-2-one
CID 142053416
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxochromene-3-carboxamide
CID 9472621
[2-oxo-2-(2-oxochromen-3-yl)ethyl] 4-benzylpiperidine-1-carbodithioate
CID 11797260

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one?
The IUPAC name of 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one (CID 25156898) is 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one.
What is the SMILES notation for 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one?
The canonical SMILES for 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one is CC1CCN(CCC(=O)c2cc3ccccc3oc2=O)CC1.
What is the InChIKey of 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one?
The InChIKey is DEGUKAYECQMCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-9-19(10-7-13)11-8-16(20)15-12-14-4-2-3-5-17(14)22-18(15)21/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one?
3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one has a molecular weight of 299.37 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one is sourced from PubChem (CID 25156898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).