ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate

C13H17NO3S — CID 60724197

IUPACethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-2-17-13(16)10-6-3-4-8-14(10)12(15)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQXSHUQUWKKGKOG-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.31
Rot. Bonds3

About ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate

ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate (PubChem CID 60724197) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
PubChem CID60724197
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Nameethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C13H17NO3S/c1-2-17-13(16)10-6-3-4-8-14(10)12(15)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3
InChIKeyQXSHUQUWKKGKOG-UHFFFAOYSA-N
XLogP2.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]amino]carbamate
CID 55929773
ethyl 1-(thieno[3,2-b]thiophene-5-carbonyl)piperidine-2-carboxylate
CID 78991939
(2,3-dimethylphenyl) 1-(thiophene-2-carbonyl)piperidine-2-carboxylate
CID 78844754
ethyl 1-(4-methoxythiophene-2-carbonyl)piperidine-2-carboxylate
CID 79461401
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
[2-(4-ethylanilino)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7532487
2-(1,3-dioxoisoindol-2-yl)ethyl (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 7532410
(2-morpholin-4-yl-2-oxoethyl) 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 55315660
[2-(4-chlorophenyl)-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2368756
ethyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 71431618
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
ethyl (2S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidine-2-carboxylate
CID 52812103

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate (CID 60724197) is ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is QXSHUQUWKKGKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-2-17-13(16)10-6-3-4-8-14(10)12(15)11-7-5-9-18-11/h5,7,9-10H,2-4,6,8H2,1H3.
What are the key properties of ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate?
ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 267.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(thiophene-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 60724197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).