ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate

C17H19ClN2O3 — CID 4894334

IUPACethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-17(22)11-5-7-20(8-6-11)16(21)15-10-12-9-13(18)3-4-14(12)19-15/h3-4,9-11,19H,2,5-8H2,1H3
InChIKeyIPNAWYQXFHDFLG-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.24
Rot. Bonds3

About ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate

ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate (PubChem CID 4894334) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
PubChem CID4894334
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Nameethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
InChIInChI=1S/C17H19ClN2O3/c1-2-23-17(22)11-5-7-20(8-6-11)16(21)15-10-12-9-13(18)3-4-14(12)19-15/h3-4,9-11,19H,2,5-8H2,1H3
InChIKeyIPNAWYQXFHDFLG-UHFFFAOYSA-N
XLogP3.24
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate (CID 4894334) is ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.
What is the InChIKey of ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is IPNAWYQXFHDFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-23-17(22)11-5-7-20(8-6-11)16(21)15-10-12-9-13(18)3-4-14(12)19-15/h3-4,9-11,19H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate?
ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 334.80 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-1H-indole-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 4894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).