tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate

C22H29FN4O4 — CID 66713848

IUPACtert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F
InChIInChI=1S/C22H29FN4O4/c1-22(2,3)31-21(29)26-10-8-16(9-11-26)25(4)20(28)27-13-18(24-14-27)15-6-7-19(30-5)17(23)12-15/h6-7,12-14,16H,8-11H2,1-5H3
InChIKeyARLREGWACLITFP-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.00
Rot. Bonds3

About tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate (PubChem CID 66713848) has the molecular formula C22H29FN4O4 and a molecular weight of 432.50 g/mol. Its IUPAC name is tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate
PubChem CID66713848
Molecular FormulaC22H29FN4O4
Molecular Weight432.50 g/mol
Exact Mass432.22
IUPAC Nametert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate
SMILESCOc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F
InChIInChI=1S/C22H29FN4O4/c1-22(2,3)31-21(29)26-10-8-16(9-11-26)25(4)20(28)27-13-18(24-14-27)15-6-7-19(30-5)17(23)12-15/h6-7,12-14,16H,8-11H2,1-5H3
InChIKeyARLREGWACLITFP-UHFFFAOYSA-N
XLogP4.00
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683058
N-(1-benzylpiperidin-4-yl)-4-(3-fluoro-4-hydroxyphenyl)-N-methylimidazole-1-carboxamide;hydrobromide
CID 159011987
1-benzyl-4-ethylpiperidine;tert-butyl 4-[3-[1-[(1-benzylpiperidin-4-yl)-methylcarbamoyl]imidazol-4-yl]benzoyl]piperazine-1-carboxylate;tert-butyl 4-[3-(1-phenoxycarbonylimidazol-4-yl)benzoyl]piperazine-1-carboxylate
CID 158992619
tert-butyl 3-(3-fluoro-4-methoxyanilino)pyrrolidine-1-carboxylate
CID 103817894
tert-butyl (3S,4R)-3-amino-4-(3-fluoro-4-methoxyphenyl)piperidine-1-carboxylate
CID 95566620
tert-butyl 4-[4-(3,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidine-1-carboxylate
CID 67265131
4-(4-hydroxyphenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methylimidazole-1-carboxamide;N-[1-(4-methoxyphenyl)piperidin-4-yl]-N-methyl-4-(4-methylphenyl)imidazole-1-carboxamide;hydrobromide
CID 159634373
tert-butyl 4-[4-[(2,5-dichlorophenyl)methyl]piperidine-1-carbonyl]-4-[4-(3-fluoro-4-methoxyphenyl)triazol-1-yl]piperidine-1-carboxylate
CID 166346718
N-cyclopentyl-4-(3-hydroxyphenyl)-N-methylimidazole-1-carboxamide
CID 66683135
tert-butyl 4-[[5-(2-chloropyrimidin-4-yl)-2-methoxyphenyl]methylamino]piperidine-1-carboxylate
CID 86603291
tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
tert-butyl 4-[[2-fluoro-4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate
CID 24993711

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate (CID 66713848) is tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate is COc1ccc(-c2cn(C(=O)N(C)C3CCN(C(=O)OC(C)(C)C)CC3)cn2)cc1F.
What is the InChIKey of tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate?
The InChIKey is ARLREGWACLITFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4/c1-22(2,3)31-21(29)26-10-8-16(9-11-26)25(4)20(28)27-13-18(24-14-27)15-6-7-19(30-5)17(23)12-15/h6-7,12-14,16H,8-11H2,1-5H3.
What are the key properties of tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate has a molecular weight of 432.50 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(3-fluoro-4-methoxyphenyl)imidazole-1-carbonyl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 66713848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).