ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate

C16H22N2O4S — CID 51180748

IUPACethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1
InChIInChI=1S/C16H22N2O4S/c1-2-22-16(21)12-5-3-9-18(11-12)14(19)7-8-17-15(20)13-6-4-10-23-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,17,20)
InChIKeyMMHFCJOCCRLKCI-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.67
Rot. Bonds6

About ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate

ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate (PubChem CID 51180748) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
PubChem CID51180748
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Nameethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1
InChIInChI=1S/C16H22N2O4S/c1-2-22-16(21)12-5-3-9-18(11-12)14(19)7-8-17-15(20)13-6-4-10-23-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,17,20)
InChIKeyMMHFCJOCCRLKCI-UHFFFAOYSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxamide
CID 49407863
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 107224907
ethyl (3S)-1-[3-[(3-methylbenzoyl)amino]propanoyl]piperidine-3-carboxylate
CID 30283843
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 43422304
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
ethyl 1-[1-(thiophene-2-carbonyl)azetidine-3-carbonyl]piperidine-3-carboxylate
CID 90510988
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
ethyl 1-(6-benzamidohexanoyl)piperidine-3-carboxylate
CID 110838807
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 78795052
N-[3-[4-(ethylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-2-carboxamide
CID 119647570
ethyl 1-[N'-methyl-N-[3-(thiophene-2-carbonylamino)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156854

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate (CID 51180748) is ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCNC(=O)c2cccs2)C1.
What is the InChIKey of ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate?
The InChIKey is MMHFCJOCCRLKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-2-22-16(21)12-5-3-9-18(11-12)14(19)7-8-17-15(20)13-6-4-10-23-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,17,20).
What are the key properties of ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate has a molecular weight of 338.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(thiophene-2-carbonylamino)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 51180748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).