tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate

C26H41N3O3 — CID 177356182

IUPACtert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate
SMILESCN1c2cc(CN3CCC(C4CCC(CC(=O)OC(C)(C)C)CC4)CC3)ccc2NC1O
InChIInChI=1S/C26H41N3O3/c1-26(2,3)32-24(30)16-18-5-8-20(9-6-18)21-11-13-29(14-12-21)17-19-7-10-22-23(15-19)28(4)25(31)27-22/h7,10,15,18,20-21,25,27,31H,5-6,8-9,11-14,16-17H2,1-4H3
InChIKeyVWVGYVFUSAETMG-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.57
Rot. Bonds5

About tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate

tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate (PubChem CID 177356182) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate
PubChem CID177356182
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Nametert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate
SMILESCN1c2cc(CN3CCC(C4CCC(CC(=O)OC(C)(C)C)CC4)CC3)ccc2NC1O
InChIInChI=1S/C26H41N3O3/c1-26(2,3)32-24(30)16-18-5-8-20(9-6-18)21-11-13-29(14-12-21)17-19-7-10-22-23(15-19)28(4)25(31)27-22/h7,10,15,18,20-21,25,27,31H,5-6,8-9,11-14,16-17H2,1-4H3
InChIKeyVWVGYVFUSAETMG-UHFFFAOYSA-N
XLogP4.57
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate 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

propan-2-yl 2-[1-[(4-methylphenyl)methyl]piperidin-4-yl]acetate
CID 83983182
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]acetate
CID 16767490
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
tert-butyl 2-[4-[[4-(methylamino)phenyl]methyl]-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 134831321
tert-butyl 2-[1-[3-(4-chlorophenoxy)propyl]piperidin-4-yl]acetate
CID 158514756
tert-butyl 2-[4-(4-methylpiperazin-1-yl)cyclohexyl]acetate
CID 58235996
tert-butyl 2-[4-[(4-fluoro-3-nitrophenyl)methyl]piperazin-1-yl]acetate
CID 126497740
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
3-[[4-(2-ethoxy-2-oxoethyl)piperidin-1-yl]methyl]benzoic acid
CID 122028667
tert-butyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis[(4-nitrophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 50936681
tert-butyl 2-[1-[[1-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-bromo-8-methoxyisoquinolin-6-yl]methyl]piperidin-4-yl]acetate
CID 159846840

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate?
The IUPAC name of tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate (CID 177356182) is tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate.
What is the SMILES notation for tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate?
The canonical SMILES for tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate is CN1c2cc(CN3CCC(C4CCC(CC(=O)OC(C)(C)C)CC4)CC3)ccc2NC1O.
What is the InChIKey of tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate?
The InChIKey is VWVGYVFUSAETMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-26(2,3)32-24(30)16-18-5-8-20(9-6-18)21-11-13-29(14-12-21)17-19-7-10-22-23(15-19)28(4)25(31)27-22/h7,10,15,18,20-21,25,27,31H,5-6,8-9,11-14,16-17H2,1-4H3.
What are the key properties of tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate?
tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate has a molecular weight of 443.63 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[1-[(2-hydroxy-3-methyl-1,2-dihydrobenzimidazol-5-yl)methyl]piperidin-4-yl]cyclohexyl]acetate is sourced from PubChem (CID 177356182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).