tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate

C26H37FN4O4 — CID 144752754

IUPACtert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cncn2Cc2ccccc2C(C)(C)F)CC1
InChIInChI=1S/C26H37FN4O4/c1-25(2,3)35-24(34)31(14-15-32)20-10-12-29(13-11-20)23(33)22-16-28-18-30(22)17-19-8-6-7-9-21(19)26(4,5)27/h6-9,16,18,20,32H,10-15,17H2,1-5H3
InChIKeyAIVMXAWHKFFVOQ-UHFFFAOYSA-N
MW488.60 g/mol
LogP3.97
Rot. Bonds7

About tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate

tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate (PubChem CID 144752754) has the molecular formula C26H37FN4O4 and a molecular weight of 488.60 g/mol. Its IUPAC name is tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
PubChem CID144752754
Molecular FormulaC26H37FN4O4
Molecular Weight488.60 g/mol
Exact Mass488.28
IUPAC Nametert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cncn2Cc2ccccc2C(C)(C)F)CC1
InChIInChI=1S/C26H37FN4O4/c1-25(2,3)35-24(34)31(14-15-32)20-10-12-29(13-11-20)23(33)22-16-28-18-30(22)17-19-8-6-7-9-21(19)26(4,5)27/h6-9,16,18,20,32H,10-15,17H2,1-5H3
InChIKeyAIVMXAWHKFFVOQ-UHFFFAOYSA-N
XLogP3.97
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate 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

[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
CID 144754830
(3-methylimidazol-4-yl)-[3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56867190
tert-butyl N-(1-benzylpyrrolidin-3-yl)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]carbamate
CID 67330677
tert-butyl N-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-hydroxyethyl)carbamate
CID 99579006
tert-butyl (3S)-3-[propyl-[[2-(trifluoromethyl)phenyl]methyl]amino]pyrrolidine-1-carboxylate
CID 69146048
tert-butyl N-cyclopropyl-N-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]carbamate
CID 107246453
tert-butyl 4-[3-hydroxypropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 22894079
tert-butyl N-(1-acetylpiperidin-4-yl)-N-[(2-chloro-3-fluoro-4-pyridinyl)methyl]carbamate
CID 171815520
tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 23138256
tert-butyl N-(1-acetylpiperidin-4-yl)-N-(3-phenylpropyl)carbamate;tert-butyl N-(3-phenylpropyl)-N-piperidin-4-ylcarbamate
CID 159612992
4,7-dimethylnonan-4-ol;ethane;ethene;[3-[[2-(4-fluorophenyl)phenyl]methyl]imidazol-4-yl]-(4-methylazepan-1-yl)methanone
CID 144754829
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
CID 124907567

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate?
The IUPAC name of tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate (CID 144752754) is tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cncn2Cc2ccccc2C(C)(C)F)CC1.
What is the InChIKey of tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate?
The InChIKey is AIVMXAWHKFFVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37FN4O4/c1-25(2,3)35-24(34)31(14-15-32)20-10-12-29(13-11-20)23(33)22-16-28-18-30(22)17-19-8-6-7-9-21(19)26(4,5)27/h6-9,16,18,20,32H,10-15,17H2,1-5H3.
What are the key properties of tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate?
tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate has a molecular weight of 488.60 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-[[2-(2-fluoropropan-2-yl)phenyl]methyl]imidazole-4-carbonyl]piperidin-4-yl]-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 144752754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).