ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate

C22H26N2O4 — CID 2229706

IUPACethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1
InChIInChI=1S/C22H26N2O4/c1-2-28-22(27)16-9-11-23(12-10-16)20(25)14-24-13-18(21(26)15-7-8-15)17-5-3-4-6-19(17)24/h3-6,13,15-16H,2,7-12,14H2,1H3
InChIKeyAIUOKRVPXKPQFG-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.04
Rot. Bonds6

About ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 2229706) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID2229706
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Nameethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1
InChIInChI=1S/C22H26N2O4/c1-2-28-22(27)16-9-11-23(12-10-16)20(25)14-24-13-18(21(26)15-7-8-15)17-5-3-4-6-19(17)24/h3-6,13,15-16H,2,7-12,14H2,1H3
InChIKeyAIUOKRVPXKPQFG-UHFFFAOYSA-N
XLogP3.04
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate (CID 2229706) is ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CC1.
What is the InChIKey of ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is AIUOKRVPXKPQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-2-28-22(27)16-9-11-23(12-10-16)20(25)14-24-13-18(21(26)15-7-8-15)17-5-3-4-6-19(17)24/h3-6,13,15-16H,2,7-12,14H2,1H3.
What are the key properties of ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 382.46 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(cyclopropanecarbonyl)indol-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 2229706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).