N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide

C17H20N2O3 — CID 2347966

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C17H20N2O3/c1-18-9-7-13(8-10-18)19(2)16(20)14-11-12-5-3-4-6-15(12)22-17(14)21/h3-6,11,13H,7-10H2,1-2H3
InChIKeyXYONXCBKDUVULC-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.96
Rot. Bonds2

About N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide

N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide (PubChem CID 2347966) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
PubChem CID2347966
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide
SMILESCN1CCC(N(C)C(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C17H20N2O3/c1-18-9-7-13(8-10-18)19(2)16(20)14-11-12-5-3-4-6-15(12)22-17(14)21/h3-6,11,13H,7-10H2,1-2H3
InChIKeyXYONXCBKDUVULC-UHFFFAOYSA-N
XLogP1.96
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.96
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

N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-methyl-N-(1-methylpiperidin-4-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 19154858
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]chromen-2-one
CID 118036884
3-[3-(4-methylpiperidin-1-yl)propanoyl]chromen-2-one
CID 25156898
2-(dimethylamino)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463573
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
CID 66182545
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-oxochromene-3-carboxamide
CID 95905742
2-oxochromene-3-carboxylic acid
CID 161011590

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide (CID 2347966) is N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide is CN1CCC(N(C)C(=O)c2cc3ccccc3oc2=O)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide?
The InChIKey is XYONXCBKDUVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-18-9-7-13(8-10-18)19(2)16(20)14-11-12-5-3-4-6-15(12)22-17(14)21/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide?
N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 2347966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).