2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide

C23H28FN3O2 — CID 11696927

IUPAC2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCN(C)C(=O)C(Cc1ccccn1)CN1CCC2(CC1)OCc1ccc(F)cc12
InChIInChI=1S/C23H28FN3O2/c1-26(2)22(28)18(13-20-5-3-4-10-25-20)15-27-11-8-23(9-12-27)21-14-19(24)7-6-17(21)16-29-23/h3-7,10,14,18H,8-9,11-13,15-16H2,1-2H3
InChIKeyAWTAROLEHDIRBJ-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.99
Rot. Bonds5

About 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide

2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide (PubChem CID 11696927) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
PubChem CID11696927
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCN(C)C(=O)C(Cc1ccccn1)CN1CCC2(CC1)OCc1ccc(F)cc12
InChIInChI=1S/C23H28FN3O2/c1-26(2)22(28)18(13-20-5-3-4-10-25-20)15-27-11-8-23(9-12-27)21-14-19(24)7-6-17(21)16-29-23/h3-7,10,14,18H,8-9,11-13,15-16H2,1-2H3
InChIKeyAWTAROLEHDIRBJ-UHFFFAOYSA-N
XLogP2.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The IUPAC name of 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide (CID 11696927) is 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide is CN(C)C(=O)C(Cc1ccccn1)CN1CCC2(CC1)OCc1ccc(F)cc12.
What is the InChIKey of 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The InChIKey is AWTAROLEHDIRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-26(2)22(28)18(13-20-5-3-4-10-25-20)15-27-11-8-23(9-12-27)21-14-19(24)7-6-17(21)16-29-23/h3-7,10,14,18H,8-9,11-13,15-16H2,1-2H3.
What are the key properties of 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide has a molecular weight of 397.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 11696927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).