1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine

C19H23N3O5S2 — CID 3243073

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESC1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CS4
InChIInChI=1S/C19H23N3O5S2/c23-18(20-9-11-21(12-10-20)19(24)16-3-1-13-27-16)15-5-7-22(8-6-15)29(25,26)17-4-2-14-28-17/h1-4,13-15H,5-12H2
InChIKeyMDFADVWUTUMJKT-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.40
Rot. Bonds4

About 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine

1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine (PubChem CID 3243073) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine
PubChem CID3243073
Molecular FormulaC19H23N3O5S2
Molecular Weight437.50 g/mol
Exact Mass437.11
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESC1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CS4
InChIInChI=1S/C19H23N3O5S2/c23-18(20-9-11-21(12-10-20)19(24)16-3-1-13-27-16)15-5-7-22(8-6-15)29(25,26)17-4-2-14-28-17/h1-4,13-15H,5-12H2
InChIKeyMDFADVWUTUMJKT-UHFFFAOYSA-N
XLogP1.40
TPSA128.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity710

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Furan-2-yl-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 25163808
N-[(5-methyl-2-furyl)methyl]-1-(thien-2-ylsulfonyl)piperidine-4-carboxamide
CID 3241846
Furan-2-yl-[4-(1-phenylmethanesulfonyl-piperidine-4-carbonyl)-piperazin-1-yl]-methanone
CID 645420
2-Benzenesulfonylamino-N-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-N-thiophen-2-ylmethyl-acetamide
CID 651765
1-(2-Furoyl)-4-(2-thienylsulfonyl)piperazine
CID 756358
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
N-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-sulfonamide
CID 3239241
1-(Furan-2-carbonyl)-4-{5-[(4-methoxybenzenesulfonyl)methyl]furan-2-carbonyl}piperazine
CID 3593668
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]furan-2-carboxamide
CID 4174023
N-(furan-2-ylmethyl)-3-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 16283022
1-{5-[(4-Fluorobenzenesulfinyl)methyl]furan-2-carbonyl}-4-(furan-2-carbonyl)piperazine
CID 20899274
(Z)-N-(3-(4-methylpiperazin-1-yl)-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl)furan-2-carboxamide
CID 1600929

Frequently Asked Questions

What is the IUPAC name of 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine?
The IUPAC name of 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine (CID 3243073) is [4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine?
The canonical SMILES for 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine is C1CN(CCC1C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CS4.
What is the InChIKey of 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine?
The InChIKey is MDFADVWUTUMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c23-18(20-9-11-21(12-10-20)19(24)16-3-1-13-27-16)15-5-7-22(8-6-15)29(25,26)17-4-2-14-28-17/h1-4,13-15H,5-12H2.
What are the key properties of 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine?
1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine has a molecular weight of 437.50 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-Furoyl)-4-{[1-(thien-2-ylsulfonyl)piperidin-4-yl]carbonyl}piperazine is sourced from PubChem (CID 3243073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).