[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

C18H29N3O4S — CID 71907901

IUPAC[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)15-6-8-20(9-7-15)26(23,24)21-12-10-19(11-13-21)17(22)16-5-4-14-25-16/h4-5,14-15H,6-13H2,1-3H3
InChIKeyHYNAMXIBSPYOGB-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.04
Rot. Bonds3

About [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 71907901) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID71907901
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCC(C)(C)C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C18H29N3O4S/c1-18(2,3)15-6-8-20(9-7-15)26(23,24)21-12-10-19(11-13-21)17(22)16-5-4-14-25-16/h4-5,14-15H,6-13H2,1-3H3
InChIKeyHYNAMXIBSPYOGB-UHFFFAOYSA-N
XLogP2.04
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7262090
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
N-cyclopropyl-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]methanesulfonamide
CID 113147911
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
furan-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 756358

Frequently Asked Questions

What is the IUPAC name of [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone (CID 71907901) is [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is CC(C)(C)C1CCN(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is HYNAMXIBSPYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-18(2,3)15-6-8-20(9-7-15)26(23,24)21-12-10-19(11-13-21)17(22)16-5-4-14-25-16/h4-5,14-15H,6-13H2,1-3H3.
What are the key properties of [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 383.51 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 71907901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).