tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate

C17H28N4O4 — CID 23138256

IUPACtert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1[nH]cnc1C(=O)N(CCO)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N4O4/c1-12-14(19-11-18-12)15(23)21(9-10-22)13-5-7-20(8-6-13)16(24)25-17(2,3)4/h11,13,22H,5-10H2,1-4H3,(H,18,19)
InChIKeyHJVHKOUDZFRCAI-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.55
Rot. Bonds4

About tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 23138256) has the molecular formula C17H28N4O4 and a molecular weight of 352.44 g/mol. Its IUPAC name is tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID23138256
Molecular FormulaC17H28N4O4
Molecular Weight352.44 g/mol
Exact Mass352.21
IUPAC Nametert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCc1[nH]cnc1C(=O)N(CCO)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H28N4O4/c1-12-14(19-11-18-12)15(23)21(9-10-22)13-5-7-20(8-6-13)16(24)25-17(2,3)4/h11,13,22H,5-10H2,1-4H3,(H,18,19)
InChIKeyHJVHKOUDZFRCAI-UHFFFAOYSA-N
XLogP1.55
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]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

tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-[[methyl-(5-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 139027539
tert-butyl 4-[ethyl(2-hydroxyethyl)carbamoyl]piperidine-1-carboxylate
CID 78855436
tert-butyl 4-[(2-chloropyrimidine-5-carbonyl)-cyclopropylamino]piperidine-1-carboxylate
CID 86686152
tert-butyl 4-[2-(hydroxymethyl)-1,3-oxazol-5-yl]piperidine-1-carboxylate
CID 115051908
tert-butyl 4-[3-hydroxypropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 22894079
tert-butyl 4-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]piperidine-1-carboxylate
CID 91234537
tert-butyl 4-[propyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]piperidine-1-carboxylate
CID 126846194
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
tert-butyl 4-[(dipropylamino)methyl]piperidine-1-carboxylate
CID 123464711
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-[[4-[2-hydroxyethyl(methylsulfonyl)amino]phenyl]methyl]piperidine-1-carboxylate
CID 139989136

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate (CID 23138256) is tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate is Cc1[nH]cnc1C(=O)N(CCO)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is HJVHKOUDZFRCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O4/c1-12-14(19-11-18-12)15(23)21(9-10-22)13-5-7-20(8-6-13)16(24)25-17(2,3)4/h11,13,22H,5-10H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 352.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-hydroxyethyl-(5-methyl-1H-imidazole-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23138256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).