2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate

C16H22N2O3S — CID 71976414

IUPAC2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate
SMILESO=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccsc1
InChIInChI=1S/C16H22N2O3S/c19-15(13-2-1-3-13)18-7-5-17(6-8-18)9-10-21-16(20)14-4-11-22-12-14/h4,11-13H,1-3,5-10H2
InChIKeyXLYNRUDBGMGDLS-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate (PubChem CID 71976414) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate.

Molecular Properties

Compound Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate
PubChem CID71976414
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate
SMILESO=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccsc1
InChIInChI=1S/C16H22N2O3S/c19-15(13-2-1-3-13)18-7-5-17(6-8-18)9-10-21-16(20)14-4-11-22-12-14/h4,11-13H,1-3,5-10H2
InChIKeyXLYNRUDBGMGDLS-UHFFFAOYSA-N
XLogP1.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl 2-fluorobenzoate
CID 71981364
(9-amino-3-bicyclo[3.3.1]nonanyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 120986770
N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 36512324
cyclobutyl-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110410080
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
cyclobutyl-[4-[2-(6-methylpyridazin-3-yl)oxyethyl]piperazin-1-yl]methanone
CID 126856072
(3-aminocyclopentyl)-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119738833
[4-(2-chloroethyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 63395349
cyclopropyl-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]methanone
CID 165435335
N-[4-[4-(azepane-1-carbonyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 35429839
[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 47030913
[6-(2-piperidin-1-ylethoxy)-3-pyridinyl]-thiophen-3-ylmethanone
CID 22443635

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate?
The IUPAC name of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate (CID 71976414) is 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate.
What is the SMILES notation for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate?
The canonical SMILES for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate is O=C(OCCN1CCN(C(=O)C2CCC2)CC1)c1ccsc1.
What is the InChIKey of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate?
The InChIKey is XLYNRUDBGMGDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c19-15(13-2-1-3-13)18-7-5-17(6-8-18)9-10-21-16(20)14-4-11-22-12-14/h4,11-13H,1-3,5-10H2.
What are the key properties of 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate?
2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate has a molecular weight of 322.43 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl thiophene-3-carboxylate is sourced from PubChem (CID 71976414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).