tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

C18H25N3O2 — CID 66787018

IUPACtert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCc1cccc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C18H25N3O2/c1-12-7-5-9-14-15(12)20-16(19-14)13-8-6-10-21(11-13)17(22)23-18(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyBITZPYQTMWIVNF-CYBMUJFWSA-N
MW315.42 g/mol
LogP3.99
Rot. Bonds1

About tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 66787018) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
PubChem CID66787018
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
SMILESCc1cccc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc12
InChIInChI=1S/C18H25N3O2/c1-12-7-5-9-14-15(12)20-16(19-14)13-8-6-10-21(11-13)17(22)23-18(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,20)/t13-/m1/s1
InChIKeyBITZPYQTMWIVNF-CYBMUJFWSA-N
XLogP3.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)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

2-(methylamino)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 56875048
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97149967
(1-tert-butylpyrrol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 72868287
1H-indol-2-yl-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70713768
(2,5-dimethylpyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70773564
4,6-dimethyl-3-[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95226071
[(3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96582134
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 70746246
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118844
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 70719611
[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 70711688
1-[3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70768103

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate (CID 66787018) is tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate is Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc12.
What is the InChIKey of tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is BITZPYQTMWIVNF-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-7-5-9-14-15(12)20-16(19-14)13-8-6-10-21(11-13)17(22)23-18(2,3)4/h5,7,9,13H,6,8,10-11H2,1-4H3,(H,19,20)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66787018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).