ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate

C18H22N2O3 — CID 84577392

IUPACethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C18H22N2O3/c1-2-23-18(22)15-4-3-9-20(12-15)17(21)11-13-5-6-14-7-8-19-16(14)10-13/h5-8,10,15,19H,2-4,9,11-12H2,1H3
InChIKeyLRGFZDITXRBDLW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.51
Rot. Bonds4

About ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate (PubChem CID 84577392) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
PubChem CID84577392
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Nameethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1
InChIInChI=1S/C18H22N2O3/c1-2-23-18(22)15-4-3-9-20(12-15)17(21)11-13-5-6-14-7-8-19-16(14)10-13/h5-8,10,15,19H,2-4,9,11-12H2,1H3
InChIKeyLRGFZDITXRBDLW-UHFFFAOYSA-N
XLogP2.51
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 112530969
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl (3R)-1-[2-(3-methylphenyl)acetyl]piperidine-3-carboxylate
CID 81338801
ethyl 1-[2-(1H-pyrrol-2-yl)acetyl]piperidine-3-carboxylate
CID 110690844
ethyl (3S)-1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 115535618
ethyl 1-(2-pyridin-4-ylacetyl)piperidine-3-carboxylate
CID 43623395
ethyl 1-[2-(2,5-dimethoxy-4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 110769736
1-(4-ethylpiperazin-1-yl)-2-(1H-indol-6-yl)ethanone
CID 84577281
1H-indazol-6-ylmethyl (3R)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 96524544
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
methyl (3S)-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 78919538
1-[4-(hydroxymethyl)piperidin-1-yl]-2-(1H-indol-6-yl)ethanone
CID 112531741

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate (CID 84577392) is ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2ccc3cc[nH]c3c2)C1.
What is the InChIKey of ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate?
The InChIKey is LRGFZDITXRBDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-2-23-18(22)15-4-3-9-20(12-15)17(21)11-13-5-6-14-7-8-19-16(14)10-13/h5-8,10,15,19H,2-4,9,11-12H2,1H3.
What are the key properties of ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(1H-indol-6-yl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 84577392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).