tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate

C19H26N2O2 — CID 97181730

IUPACtert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
SMILESCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-7-9-15(13-21)17-12-14-8-5-6-10-16(14)20(17)4/h5-6,8,10,12,15H,7,9,11,13H2,1-4H3/t15-/m1/s1
InChIKeyWRELXZYMFSHNAL-OAHLLOKOSA-N
MW314.43 g/mol
LogP4.29
Rot. Bonds1

About tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate

tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate (PubChem CID 97181730) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
PubChem CID97181730
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate
SMILESCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21
InChIInChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-7-9-15(13-21)17-12-14-8-5-6-10-16(14)20(17)4/h5-6,8,10,12,15H,7,9,11,13H2,1-4H3/t15-/m1/s1
InChIKeyWRELXZYMFSHNAL-OAHLLOKOSA-N
XLogP4.29
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (3R)-3-(1-methylindol-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

tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
tert-butyl 3-(3-phenylphenyl)piperidine-1-carboxylate
CID 155788326
tert-butyl 3-(1-bromoimidazo[1,5-a]pyridin-3-yl)piperidine-1-carboxylate
CID 171544233
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-(3-phenylazepane-1-carbonyl)piperidine-1-carboxylate
CID 121146182
tert-butyl 2-(1-aminoindol-2-yl)piperidine-1-carboxylate
CID 118037468
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949
tert-butyl (3R)-3-(2-methylbenzoyl)piperidine-1-carboxylate
CID 59382852

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate (CID 97181730) is tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate is Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc2ccccc21.
What is the InChIKey of tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate?
The InChIKey is WRELXZYMFSHNAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-19(2,3)23-18(22)21-11-7-9-15(13-21)17-12-14-8-5-6-10-16(14)20(17)4/h5-6,8,10,12,15H,7,9,11,13H2,1-4H3/t15-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate?
tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(1-methylindol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 97181730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).