N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide

C20H24N2O5 — CID 32541213

IUPACN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C20H24N2O5/c1-13(2)20(25)22-9-7-15(8-10-22)21-18(23)12-26-16-5-3-14-4-6-19(24)27-17(14)11-16/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyKFCWZYBQUMLRFE-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.93
Rot. Bonds5

About N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 32541213) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID32541213
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C20H24N2O5/c1-13(2)20(25)22-9-7-15(8-10-22)21-18(23)12-26-16-5-3-14-4-6-19(24)27-17(14)11-16/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,23)
InChIKeyKFCWZYBQUMLRFE-UHFFFAOYSA-N
XLogP1.93
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32542579
2-(2-oxochromen-7-yl)oxy-N-piperidin-3-ylacetamide;hydrochloride
CID 119427483
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
7-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]oxychromen-2-one
CID 7290736
N-cyclopropyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2571495
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
7-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethoxy]chromen-2-one;hydrochloride
CID 119412010
7-[2-(3-ethoxypyrrolidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 171907125
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-(3-amino-2-methylpropyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 119996034
7-[2-[(1-methylsulfonylpiperidin-4-yl)amino]propoxy]chromen-2-one
CID 56716728

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 32541213) is N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide is CC(C)C(=O)N1CCC(NC(=O)COc2ccc3ccc(=O)oc3c2)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is KFCWZYBQUMLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-13(2)20(25)22-9-7-15(8-10-22)21-18(23)12-26-16-5-3-14-4-6-19(24)27-17(14)11-16/h3-6,11,13,15H,7-10,12H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 372.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 32541213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).