tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

C29H35N3O3 — CID 142594670

IUPACtert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2C(C)C)cc2ocnc12
InChIInChI=1S/C29H35N3O3/c1-17(2)25-22-14-20(19-9-11-32(12-10-19)28(33)35-29(4,5)6)7-8-23(22)31-27(25)21-13-18(3)26-24(15-21)34-16-30-26/h7-8,13-17,19,31H,9-12H2,1-6H3
InChIKeyILLOFGUBRJREPN-UHFFFAOYSA-N
MW473.62 g/mol
LogP7.52
Rot. Bonds3

About tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (PubChem CID 142594670) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
PubChem CID142594670
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Nametert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2C(C)C)cc2ocnc12
InChIInChI=1S/C29H35N3O3/c1-17(2)25-22-14-20(19-9-11-32(12-10-19)28(33)35-29(4,5)6)7-8-23(22)31-27(25)21-13-18(3)26-24(15-21)34-16-30-26/h7-8,13-17,19,31H,9-12H2,1-6H3
InChIKeyILLOFGUBRJREPN-UHFFFAOYSA-N
XLogP7.52
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 57.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134329777
tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 134330040
tert-butyl 4-[2-(3-methyl-4-nitro-5-phenylmethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 154637639
N-methyl-2-[4-[2-(8-methylquinoxalin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594665
tert-butyl 4-[2-(3-hydroxy-2,6-dimethyl-4-pyridinyl)-3-(1-hydroxypropan-2-yl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 175205557
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-3,7-dimethyl-1,3-benzoxazol-2-one
CID 142593753
1-[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-[(2-hydroxy-2-methylpropyl)amino]ethanone
CID 134330047
4-[2-(2-chloro-6-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575365
[4-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 134329407
(3-methyloxetan-3-yl)-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]methanone
CID 134329539
tert-butyl 4-[3-(2,2-difluoroethyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 134230568
4-[2-(2-chloro-6-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylic acid
CID 146575370

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (CID 142594670) is tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is Cc1cc(-c2[nH]c3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3c2C(C)C)cc2ocnc12.
What is the InChIKey of tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The InChIKey is ILLOFGUBRJREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-17(2)25-22-14-20(19-9-11-32(12-10-19)28(33)35-29(4,5)6)7-8-23(22)31-27(25)21-13-18(3)26-24(15-21)34-16-30-26/h7-8,13-17,19,31H,9-12H2,1-6H3.
What are the key properties of tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate has a molecular weight of 473.62 g/mol, XLogP of 7.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 142594670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).