N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide

C15H18N2O3 — CID 90190064

IUPACN-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)COC2=O)C1CCNCC1
InChIInChI=1S/C15H18N2O3/c1-17(12-4-6-16-7-5-12)14(18)10-2-3-13-11(8-10)9-20-15(13)19/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyGNXRYJMIJWIUQI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.18
Rot. Bonds2

About N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide

N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide (PubChem CID 90190064) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide
PubChem CID90190064
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)COC2=O)C1CCNCC1
InChIInChI=1S/C15H18N2O3/c1-17(12-4-6-16-7-5-12)14(18)10-2-3-13-11(8-10)9-20-15(13)19/h2-3,8,12,16H,4-7,9H2,1H3
InChIKeyGNXRYJMIJWIUQI-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide;hydrochloride
CID 119443523
N-methyl-9,10,10-trioxo-N-piperidin-4-ylthioxanthene-3-carboxamide;hydrochloride
CID 119442179
4-chloro-3-fluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 107990085
N-(azepan-4-yl)-3,4-dihydroxy-N-methylbenzamide
CID 107728861
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
N,2-dimethyl-1,3-dioxo-N-pyrrolidin-3-ylisoindole-5-carboxamide;hydrochloride
CID 119552387
N-cyclopropyl-N-methyl-3-piperidin-4-ylbenzamide
CID 70265389
3-N-(azepan-4-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 104974741
3,5-dibromo-N-methyl-N-piperidin-4-ylbenzamide
CID 114022754
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide?
The IUPAC name of N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide (CID 90190064) is N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide?
The canonical SMILES for N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide is CN(C(=O)c1ccc2c(c1)COC2=O)C1CCNCC1.
What is the InChIKey of N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide?
The InChIKey is GNXRYJMIJWIUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(12-4-6-16-7-5-12)14(18)10-2-3-13-11(8-10)9-20-15(13)19/h2-3,8,12,16H,4-7,9H2,1H3.
What are the key properties of N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide?
N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-N-piperidin-4-yl-3H-2-benzofuran-5-carboxamide is sourced from PubChem (CID 90190064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).