N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide

C22H32N2O2 — CID 143736405

IUPACN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(C)CC4)CC3)c2O1
InChIInChI=1S/C22H32N2O2/c1-21(2)13-17-5-4-6-18(19(17)26-21)15-24-11-7-16(8-12-24)14-23-20(25)22(3)9-10-22/h4-6,16H,7-15H2,1-3H3,(H,23,25)
InChIKeyZIURHRRWMULZBQ-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.53
Rot. Bonds5

About N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 143736405) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID143736405
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(C)CC4)CC3)c2O1
InChIInChI=1S/C22H32N2O2/c1-21(2)13-17-5-4-6-18(19(17)26-21)15-24-11-7-16(8-12-24)14-23-20(25)22(3)9-10-22/h4-6,16H,7-15H2,1-3H3,(H,23,25)
InChIKeyZIURHRRWMULZBQ-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 25054580
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 25057950
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 25056648
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-2-imidazol-1-ylpropanamide
CID 69170478
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylindole-2-carboxamide
CID 25056650
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 25057680
(2Z,4E)-2-[[(E)-but-1-enyl]amino]-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-methylhexa-2,4-dienamide
CID 143736411
6-bromo-N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide
CID 25055332
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-6-fluoro-1H-indole-2-carboxamide
CID 25055089
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-4-ethoxy-2,3-dihydro-1H-indole-2-carboxamide
CID 71070796

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 143736405) is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(C)CC4)CC3)c2O1.
What is the InChIKey of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is ZIURHRRWMULZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-21(2)13-17-5-4-6-18(19(17)26-21)15-24-11-7-16(8-12-24)14-23-20(25)22(3)9-10-22/h4-6,16H,7-15H2,1-3H3,(H,23,25).
What are the key properties of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 143736405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).