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

C27H33FN2O2 — CID 25054580

IUPACN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(c5ccccc5F)CC4)CC3)c2O1
InChIInChI=1S/C27H33FN2O2/c1-26(2)16-20-6-5-7-21(24(20)32-26)18-30-14-10-19(11-15-30)17-29-25(31)27(12-13-27)22-8-3-4-9-23(22)28/h3-9,19H,10-18H2,1-2H3,(H,29,31)
InChIKeyUEEOGBRFWBKKML-UHFFFAOYSA-N
MW436.57 g/mol
LogP4.60
Rot. Bonds6

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

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 25054580) has the molecular formula C27H33FN2O2 and a molecular weight of 436.57 g/mol. Its IUPAC name is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID25054580
Molecular FormulaC27H33FN2O2
Molecular Weight436.57 g/mol
Exact Mass436.25
IUPAC NameN-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(c5ccccc5F)CC4)CC3)c2O1
InChIInChI=1S/C27H33FN2O2/c1-26(2)16-20-6-5-7-21(24(20)32-26)18-30-14-10-19(11-15-30)17-29-25(31)27(12-13-27)22-8-3-4-9-23(22)28/h3-9,19H,10-18H2,1-2H3,(H,29,31)
InChIKeyUEEOGBRFWBKKML-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 143736405
1-(2-fluorophenyl)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclopropane-1-carboxamide
CID 110630190
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]-3-methyl-1-benzofuran-2-carboxamide
CID 69170940
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]-1-methylindole-2-carboxamide
CID 25056650
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]-2-imidazol-1-ylpropanamide
CID 69170478
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514
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]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

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-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 25054580) is N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is CC1(C)Cc2cccc(CN3CCC(CNC(=O)C4(c5ccccc5F)CC4)CC3)c2O1.
What is the InChIKey of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UEEOGBRFWBKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN2O2/c1-26(2)16-20-6-5-7-21(24(20)32-26)18-30-14-10-19(11-15-30)17-29-25(31)27(12-13-27)22-8-3-4-9-23(22)28/h3-9,19H,10-18H2,1-2H3,(H,29,31).
What are the key properties of N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]methyl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 436.57 g/mol, XLogP of 4.60, 6 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-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 25054580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).