2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide

C22H29FN4O2 — CID 11502214

IUPAC2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide
SMILESCN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)ccc12)Cn1cccn1
InChIInChI=1S/C22H29FN4O2/c1-25(2)21(28)18(16-27-10-3-9-24-27)15-26-11-7-22(8-12-26)20-5-4-19(23)14-17(20)6-13-29-22/h3-5,9-10,14,18H,6-8,11-13,15-16H2,1-2H3
InChIKeySZVWSQURHLILTF-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.29
Rot. Bonds5

About 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide

2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide (PubChem CID 11502214) has the molecular formula C22H29FN4O2 and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide
PubChem CID11502214
Molecular FormulaC22H29FN4O2
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide
SMILESCN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)ccc12)Cn1cccn1
InChIInChI=1S/C22H29FN4O2/c1-25(2)21(28)18(16-27-10-3-9-24-27)15-26-11-7-22(8-12-26)20-5-4-19(23)14-17(20)6-13-29-22/h3-5,9-10,14,18H,6-8,11-13,15-16H2,1-2H3
InChIKeySZVWSQURHLILTF-UHFFFAOYSA-N
XLogP2.29
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 69265201
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-[(6-fluorospiro[3,4-dihydroisochromene-1,3'-8-azabicyclo[3.2.1]octane]-8'-yl)methyl]-3-pyrazol-1-ylpropanoic acid
CID 12003774
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
2-[(5-fluoro-1-methylspiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 11575145
acetic acid;1'-(3-pyrazol-1-ylpropyl)-6-[2-(1,2,4-triazol-1-yl)ethoxy]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163333494
(2S)-2-[(2-fluorophenyl)methyl]-3-(2-fluorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-N-methyl-N-propan-2-ylpropanamide
CID 52951808
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
ethyl 2-[(2-chlorophenyl)methyl]-3-(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)propanoate
CID 69265730
ethyl 2-[[2-[(5-fluorospiro[1H-2-benzofuran-3,4'-piperidine]-1'-yl)methyl]-3-(1,3-thiazol-4-yl)propanoyl]-methylamino]acetate
CID 69264568

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide?
The IUPAC name of 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide (CID 11502214) is 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide?
The canonical SMILES for 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide is CN(C)C(=O)C(CN1CCC2(CC1)OCCc1cc(F)ccc12)Cn1cccn1.
What is the InChIKey of 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide?
The InChIKey is SZVWSQURHLILTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2/c1-25(2)21(28)18(16-27-10-3-9-24-27)15-26-11-7-22(8-12-26)20-5-4-19(23)14-17(20)6-13-29-22/h3-5,9-10,14,18H,6-8,11-13,15-16H2,1-2H3.
What are the key properties of 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide?
2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluorospiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-N,N-dimethyl-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 11502214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).