1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one

C17H25N3O5S — CID 110342641

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O5S/c21-16(6-14-26(23,24)20-7-2-1-3-8-20)18-9-11-19(12-10-18)17(22)15-5-4-13-25-15/h4-5,13H,1-3,6-12,14H2
InChIKeyMCOJCTBTCRJYBZ-UHFFFAOYSA-N
MW383.47 g/mol
LogP0.77
Rot. Bonds5

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one (PubChem CID 110342641) has the molecular formula C17H25N3O5S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
PubChem CID110342641
Molecular FormulaC17H25N3O5S
Molecular Weight383.47 g/mol
Exact Mass383.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one
SMILESO=C(CCS(=O)(=O)N1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C17H25N3O5S/c21-16(6-14-26(23,24)20-7-2-1-3-8-20)18-9-11-19(12-10-18)17(22)15-5-4-13-25-15/h4-5,13H,1-3,6-12,14H2
InChIKeyMCOJCTBTCRJYBZ-UHFFFAOYSA-N
XLogP0.77
TPSA91.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
azepan-1-yl(furan-2-yl)methanone
CID 5200992
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
sodium 1-(furan-2-carbonyl)-4-(3-sulfosulfanylpropanoyl)piperazine
CID 126465640
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
methyl 4-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110797620
furan-2-yl-[4-[(3-methylphenyl)methylsulfonyl]-1,4-diazepan-1-yl]methanone
CID 110798091
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one (CID 110342641) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one is O=C(CCS(=O)(=O)N1CCCCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
The InChIKey is MCOJCTBTCRJYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5S/c21-16(6-14-26(23,24)20-7-2-1-3-8-20)18-9-11-19(12-10-18)17(22)15-5-4-13-25-15/h4-5,13H,1-3,6-12,14H2.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one has a molecular weight of 383.47 g/mol, XLogP of 0.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-piperidin-1-ylsulfonylpropan-1-one is sourced from PubChem (CID 110342641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).