tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

C29H37N3O2 — CID 134330040

IUPACtert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCC(C)c1c(-c2ccnc(C3CC3)c2)[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C29H37N3O2/c1-18(2)26-23-16-21(19-11-14-32(15-12-19)28(33)34-29(3,4)5)8-9-24(23)31-27(26)22-10-13-30-25(17-22)20-6-7-20/h8-10,13,16-20,31H,6-7,11-12,14-15H2,1-5H3
InChIKeyVUIYGETWQYDSCP-UHFFFAOYSA-N
MW459.63 g/mol
LogP7.35
Rot. Bonds4

About tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (PubChem CID 134330040) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
PubChem CID134330040
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Nametert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
SMILESCC(C)c1c(-c2ccnc(C3CC3)c2)[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12
InChIInChI=1S/C29H37N3O2/c1-18(2)26-23-16-21(19-11-14-32(15-12-19)28(33)34-29(3,4)5)8-9-24(23)31-27(26)22-10-13-30-25(17-22)20-6-7-20/h8-10,13,16-20,31H,6-7,11-12,14-15H2,1-5H3
InChIKeyVUIYGETWQYDSCP-UHFFFAOYSA-N
XLogP7.35
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 57.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-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-(4-methyl-1,3-benzoxazol-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 142594670
2-(2-cyclopropyl-4-pyridinyl)-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-3-propan-2-yl-1H-indole
CID 134330189
(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-[2-(3-methyl-4-nitro-5-phenylmethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate
CID 154637639
1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 134329412
2-(2-hydroxypropylamino)-1-[4-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 155802604
2-[4-[2-(2-methoxy-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 134329798
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
tert-butyl 4-[3-(2,2-difluoroethyl)-2-(3,4-dimethoxyphenyl)-1H-indol-5-yl]piperidine-1-carboxylate
CID 134230568
tert-butyl N-[4-[4-[2-(3,4-dimethoxyphenyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-4-oxobutyl]carbamate
CID 134241024
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate (CID 134330040) is tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is CC(C)c1c(-c2ccnc(C3CC3)c2)[nH]c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc12.
What is the InChIKey of tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
The InChIKey is VUIYGETWQYDSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-18(2)26-23-16-21(19-11-14-32(15-12-19)28(33)34-29(3,4)5)8-9-24(23)31-27(26)22-10-13-30-25(17-22)20-6-7-20/h8-10,13,16-20,31H,6-7,11-12,14-15H2,1-5H3.
What are the key properties of tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate has a molecular weight of 459.63 g/mol, XLogP of 7.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(2-cyclopropyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134330040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).