ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate

C18H27N3O2 — CID 50964250

IUPACethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCN2CCc3ccccc32)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-12-8-16(9-13-21)19-10-14-20-11-7-15-5-3-4-6-17(15)20/h3-6,16,19H,2,7-14H2,1H3
InChIKeyPJQQYTSAOZHBQT-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.26
Rot. Bonds5

About ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate

ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate (PubChem CID 50964250) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
PubChem CID50964250
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nameethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCN2CCc3ccccc32)CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)21-12-8-16(9-13-21)19-10-14-20-11-7-15-5-3-4-6-17(15)20/h3-6,16,19H,2,7-14H2,1H3
InChIKeyPJQQYTSAOZHBQT-UHFFFAOYSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109160228
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[(1S,2R)-2-phenylcyclopropyl]methylamino]piperidine-1-carboxylate
CID 97056265
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-[2-(1,3-benzothiazol-2-yl)ethylamino]piperidine-1-carboxylate
CID 57059005
ethyl 4-[(2,6-dimethylphenyl)methylamino]piperidine-1-carboxylate
CID 81318643
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
ethyl 4-[[(1R)-2,3-dihydro-1H-indene-1-carbonyl]amino]piperidine-1-carboxylate
CID 99939190
ethyl 4-[[2-(2-methyl-2,3-dihydroindol-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 78639869

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate (CID 50964250) is ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCN2CCc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate?
The InChIKey is PJQQYTSAOZHBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-18(22)21-12-8-16(9-13-21)19-10-14-20-11-7-15-5-3-4-6-17(15)20/h3-6,16,19H,2,7-14H2,1H3.
What are the key properties of ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate has a molecular weight of 317.43 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2,3-dihydroindol-1-yl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50964250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).