N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H24N2O2 — CID 78671276

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3Cc4ccccc4O3)cc2)CC1
InChIInChI=1S/C21H24N2O2/c1-15-10-12-23(13-11-15)18-8-6-17(7-9-18)22-21(24)20-14-16-4-2-3-5-19(16)25-20/h2-9,15,20H,10-14H2,1H3,(H,22,24)
InChIKeyLDYSSTUIJUXVFL-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.87
Rot. Bonds3

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 78671276) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID78671276
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)C3Cc4ccccc4O3)cc2)CC1
InChIInChI=1S/C21H24N2O2/c1-15-10-12-23(13-11-15)18-8-6-17(7-9-18)22-21(24)20-14-16-4-2-3-5-19(16)25-20/h2-9,15,20H,10-14H2,1H3,(H,22,24)
InChIKeyLDYSSTUIJUXVFL-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[4-(4-methylpiperazin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25337403
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94801265
N-(4-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47114339
(2R)-N-[4-(methanesulfonamido)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 30784955
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18070767
(2R)-N-(4-phenoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9074346
N-(4-ethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089338
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 78671276) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC1CCN(c2ccc(NC(=O)C3Cc4ccccc4O3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LDYSSTUIJUXVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-10-12-23(13-11-15)18-8-6-17(7-9-18)22-21(24)20-14-16-4-2-3-5-19(16)25-20/h2-9,15,20H,10-14H2,1H3,(H,22,24).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 78671276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).