ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate

C21H28N2O3 — CID 55915165

IUPACethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(CC(C)C)c3ccccc23)C1
InChIInChI=1S/C21H28N2O3/c1-4-26-21(25)16-8-7-11-22(13-16)20(24)18-14-23(12-15(2)3)19-10-6-5-9-17(18)19/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3
InChIKeyROXGUPZGXYQADS-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.71
Rot. Bonds5

About ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate (PubChem CID 55915165) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
PubChem CID55915165
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Nameethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn(CC(C)C)c3ccccc23)C1
InChIInChI=1S/C21H28N2O3/c1-4-26-21(25)16-8-7-11-22(13-16)20(24)18-14-23(12-15(2)3)19-10-6-5-9-17(18)19/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3
InChIKeyROXGUPZGXYQADS-UHFFFAOYSA-N
XLogP3.71
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxypiperidin-1-yl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 110900774
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl (3R)-1-(2-methylsulfanylbenzoyl)piperidine-3-carboxylate
CID 81338642
ethyl (3S)-1-(2-iodobenzoyl)piperidine-3-carboxylate
CID 1345981
ethyl 1-[2-(methylamino)benzoyl]piperidine-3-carboxylate
CID 61377643
ethyl (3R)-1-(2-phenylbenzoyl)piperidine-3-carboxylate
CID 39950024
ethyl 1-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]piperidine-3-carboxylate
CID 55526839
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl 1-(2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylate
CID 42910473
ethyl (3S)-1-[1-(1H-indole-3-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 95377022
2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125151891

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate (CID 55915165) is ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cn(CC(C)C)c3ccccc23)C1.
What is the InChIKey of ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is ROXGUPZGXYQADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-26-21(25)16-8-7-11-22(13-16)20(24)18-14-23(12-15(2)3)19-10-6-5-9-17(18)19/h5-6,9-10,14-16H,4,7-8,11-13H2,1-3H3.
What are the key properties of ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2-methylpropyl)indole-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 55915165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).