4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

C21H31N3O4 — CID 121020466

IUPAC4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C21H31N3O4/c1-21(2)12-16-6-5-7-17(19(16)28-21)27-14-18(25)22-13-15-8-10-24(11-9-15)20(26)23(3)4/h5-7,15H,8-14H2,1-4H3,(H,22,25)
InChIKeyKKFCXKIDHGIFFU-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.29
Rot. Bonds5

About 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 121020466) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID121020466
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1
InChIInChI=1S/C21H31N3O4/c1-21(2)12-16-6-5-7-17(19(16)28-21)27-14-18(25)22-13-15-8-10-24(11-9-15)20(26)23(3)4/h5-7,15H,8-14H2,1-4H3,(H,22,25)
InChIKeyKKFCXKIDHGIFFU-UHFFFAOYSA-N
XLogP2.29
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 119104055
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]methyl]acetamide
CID 91814105
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 90567386
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619793
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8894340
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N,N-di(propan-2-yl)acetamide
CID 8551057
N-[(2,6-difluorophenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
CID 8551831
2-[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]ethyl-dimethylazanium
CID 7858818
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]benzoic acid
CID 45423782
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]-N-(3-phenylpropyl)acetamide
CID 8551560
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide (CID 121020466) is 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNC(=O)COc2cccc3c2OC(C)(C)C3)CC1.
What is the InChIKey of 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is KKFCXKIDHGIFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-21(2)12-16-6-5-7-17(19(16)28-21)27-14-18(25)22-13-15-8-10-24(11-9-15)20(26)23(3)4/h5-7,15H,8-14H2,1-4H3,(H,22,25).
What are the key properties of 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 121020466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).