[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone

C15H20N2O3S — CID 110854742

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCCS2)CC1
InChIInChI=1S/C15H20N2O3S/c18-14(12-4-3-10-20-12)16-6-8-17(9-7-16)15(19)13-5-1-2-11-21-13/h3-4,10,13H,1-2,5-9,11H2
InChIKeyTTZZEYYBZPCLMT-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.85
Rot. Bonds2

About [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone (PubChem CID 110854742) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone
PubChem CID110854742
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCCS2)CC1
InChIInChI=1S/C15H20N2O3S/c18-14(12-4-3-10-20-12)16-6-8-17(9-7-16)15(19)13-5-1-2-11-21-13/h3-4,10,13H,1-2,5-9,11H2
InChIKeyTTZZEYYBZPCLMT-UHFFFAOYSA-N
XLogP1.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
2-(2-ethylpiperidin-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004627
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
(3R)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 25452099
[4-(furan-2-carbonyl)piperazin-1-yl]-[(1S,2R)-2-thiophen-2-ylcyclopropyl]methanone
CID 95967610

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone (CID 110854742) is [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCCCS2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone?
The InChIKey is TTZZEYYBZPCLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-14(12-4-3-10-20-12)16-6-8-17(9-7-16)15(19)13-5-1-2-11-21-13/h3-4,10,13H,1-2,5-9,11H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone has a molecular weight of 308.40 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(thian-2-yl)methanone is sourced from PubChem (CID 110854742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).