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

C24H30FN3O2 — CID 11575145

IUPAC2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCC1OC2(CCN(CC(Cc3ccccn3)C(=O)N(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H30FN3O2/c1-17-21-8-7-19(25)15-22(21)24(30-17)9-12-28(13-10-24)16-18(23(29)27(2)3)14-20-6-4-5-11-26-20/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3
InChIKeyHWWGVZAOWGKHRJ-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.55
Rot. Bonds5

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

2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide (PubChem CID 11575145) has the molecular formula C24H30FN3O2 and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
PubChem CID11575145
Molecular FormulaC24H30FN3O2
Molecular Weight411.52 g/mol
Exact Mass411.23
IUPAC Name2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
SMILESCC1OC2(CCN(CC(Cc3ccccn3)C(=O)N(C)C)CC2)c2cc(F)ccc21
InChIInChI=1S/C24H30FN3O2/c1-17-21-8-7-19(25)15-22(21)24(30-17)9-12-28(13-10-24)16-18(23(29)27(2)3)14-20-6-4-5-11-26-20/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3
InChIKeyHWWGVZAOWGKHRJ-UHFFFAOYSA-N
XLogP3.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(1,3-thiazol-4-yl)propanamide
CID 11509941
2-benzyl-3-(5-fluoro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide
CID 69265768
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69263934
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-methyl-N-propan-2-yl-3-(1,3-thiazol-4-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69264571
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-(1,3-thiazol-4-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69265899
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
2-[(4-chloropyrazol-1-yl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-N,N-dimethylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69263911
2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-(4-methylpyrazol-1-yl)propanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69264409
ethyl 2-[(2-chlorophenyl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propanoate
CID 69265730
2-[(2-chloro-5-hydroxyphenyl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
CID 58948297
(1R)-5-fluoro-1'-methyl-1-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 129405189
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The IUPAC name of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide (CID 11575145) is 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The canonical SMILES for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide is CC1OC2(CCN(CC(Cc3ccccn3)C(=O)N(C)C)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
The InChIKey is HWWGVZAOWGKHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O2/c1-17-21-8-7-19(25)15-22(21)24(30-17)9-12-28(13-10-24)16-18(23(29)27(2)3)14-20-6-4-5-11-26-20/h4-8,11,15,17-18H,9-10,12-14,16H2,1-3H3.
What are the key properties of 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide?
2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide has a molecular weight of 411.52 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 11575145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).