[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone

C23H27FN2O2 — CID 126793331

IUPAC[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC1(C)Cc2cccc(CNC3CCN(C(=O)c4ccccc4F)CC3)c2O1
InChIInChI=1S/C23H27FN2O2/c1-23(2)14-16-6-5-7-17(21(16)28-23)15-25-18-10-12-26(13-11-18)22(27)19-8-3-4-9-20(19)24/h3-9,18,25H,10-15H2,1-2H3
InChIKeyPUTPVWXHLQUHHM-UHFFFAOYSA-N
MW382.48 g/mol
LogP3.93
Rot. Bonds4

About [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone

[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 126793331) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID126793331
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC Name[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESCC1(C)Cc2cccc(CNC3CCN(C(=O)c4ccccc4F)CC3)c2O1
InChIInChI=1S/C23H27FN2O2/c1-23(2)14-16-6-5-7-17(21(16)28-23)15-25-18-10-12-26(13-11-18)22(27)19-8-3-4-9-20(19)24/h3-9,18,25H,10-15H2,1-2H3
InChIKeyPUTPVWXHLQUHHM-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone with MolForge

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Related Compounds

1-(2,2-difluoroethyl)-N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 126769654
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]cyclohexanamine
CID 64509473
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]thian-4-amine
CID 115641639
(2-fluorophenyl)-[4-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]piperidin-1-yl]methanone
CID 119126691
(2-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]methanone
CID 86808741
(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
CID 2738416
(2-fluorophenyl)-[4-[[(3R)-2,2,5,5-tetramethyloxolan-3-yl]amino]piperidin-1-yl]methanone
CID 97230073
N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]-3-methylcyclohexan-1-amine
CID 64506591
(2-fluorophenyl)-[4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]methanone
CID 119111056
(2-fluorophenyl)-[4-[[(Z)-2-methyl-3-phenylprop-2-enyl]amino]piperidin-1-yl]methanone
CID 119108021
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 126793331) is [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone is CC1(C)Cc2cccc(CNC3CCN(C(=O)c4ccccc4F)CC3)c2O1.
What is the InChIKey of [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is PUTPVWXHLQUHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-23(2)14-16-6-5-7-17(21(16)28-23)15-25-18-10-12-26(13-11-18)22(27)19-8-3-4-9-20(19)24/h3-9,18,25H,10-15H2,1-2H3.
What are the key properties of [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 382.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methylamino]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 126793331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).