N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide

C16H18N2O3 — CID 43602148

IUPACN-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CCNCC1
InChIInChI=1S/C16H18N2O3/c1-18(12-6-8-17-9-7-12)15(19)13-10-11-4-2-3-5-14(11)21-16(13)20/h2-5,10,12,17H,6-9H2,1H3
InChIKeyIQZNCGHJAWWXPG-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.62
Rot. Bonds2

About N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide

N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide (PubChem CID 43602148) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
PubChem CID43602148
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2oc1=O)C1CCNCC1
InChIInChI=1S/C16H18N2O3/c1-18(12-6-8-17-9-7-12)15(19)13-10-11-4-2-3-5-14(11)21-16(13)20/h2-5,10,12,17H,6-9H2,1H3
InChIKeyIQZNCGHJAWWXPG-UHFFFAOYSA-N
XLogP1.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
CID 2347966
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154858
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide (CID 43602148) is N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide is CN(C(=O)c1cc2ccccc2oc1=O)C1CCNCC1.
What is the InChIKey of N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide?
The InChIKey is IQZNCGHJAWWXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-18(12-6-8-17-9-7-12)15(19)13-10-11-4-2-3-5-14(11)21-16(13)20/h2-5,10,12,17H,6-9H2,1H3.
What are the key properties of N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide?
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide is sourced from PubChem (CID 43602148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).