N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

C21H28N2O4 — CID 166406542

IUPACN-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(Oc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C21H28N2O4/c1-5-18(24)22(4)14-19(25)23-11-9-16(10-12-23)26-17-8-6-7-15-13-21(2,3)27-20(15)17/h5-8,16H,1,9-14H2,2-4H3
InChIKeyJOIKRLBFRXYQNE-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide

N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (PubChem CID 166406542) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
PubChem CID166406542
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)CC(=O)N1CCC(Oc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C21H28N2O4/c1-5-18(24)22(4)14-19(25)23-11-9-16(10-12-23)26-17-8-6-7-15-13-21(2,3)27-20(15)17/h5-8,16H,1,9-14H2,2-4H3
InChIKeyJOIKRLBFRXYQNE-UHFFFAOYSA-N
XLogP2.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide
CID 154793906
1-[4-[(3-chloro-2-pyridinyl)oxy]piperidin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone
CID 71798806
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclohexan-1-amine
CID 62807246
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[4-(triazol-2-yl)piperidin-1-yl]ethanone
CID 121164847
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-methylprop-2-enamide
CID 166406509
2,2-dimethyl-7-prop-2-enoxy-3H-1-benzofuran
CID 54215280
3-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 47060755
3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]cyclobutan-1-amine
CID 66357094
methyl 2-[(3R)-1-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]pyrrolidin-3-yl]sulfanylacetate
CID 99982196
7-[[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47056919
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 8551244
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8551121

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The IUPAC name of N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide (CID 166406542) is N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide.
What is the SMILES notation for N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The canonical SMILES for N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is C=CC(=O)N(C)CC(=O)N1CCC(Oc2cccc3c2OC(C)(C)C3)CC1.
What is the InChIKey of N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
The InChIKey is JOIKRLBFRXYQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-5-18(24)22(4)14-19(25)23-11-9-16(10-12-23)26-17-8-6-7-15-13-21(2,3)27-20(15)17/h5-8,16H,1,9-14H2,2-4H3.
What are the key properties of N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide?
N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]piperidin-1-yl]-2-oxoethyl]-N-methylprop-2-enamide is sourced from PubChem (CID 166406542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).