5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

C16H25N5O5S — CID 120981052

IUPAC5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)o1
InChIInChI=1S/C16H25N5O5S/c17-16(23)13-1-2-15(26-13)27(24,25)21-11-9-19(10-12-21)6-3-14(22)20-7-4-18-5-8-20/h1-2,18H,3-12H2,(H2,17,23)
InChIKeyMDAKQIOGONPACT-UHFFFAOYSA-N
MW399.47 g/mol
LogP-1.49
Rot. Bonds6

About 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide

5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (PubChem CID 120981052) has the molecular formula C16H25N5O5S and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
PubChem CID120981052
Molecular FormulaC16H25N5O5S
Molecular Weight399.47 g/mol
Exact Mass399.16
IUPAC Name5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
SMILESNC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)o1
InChIInChI=1S/C16H25N5O5S/c17-16(23)13-1-2-15(26-13)27(24,25)21-11-9-19(10-12-21)6-3-14(22)20-7-4-18-5-8-20/h1-2,18H,3-12H2,(H2,17,23)
InChIKeyMDAKQIOGONPACT-UHFFFAOYSA-N
XLogP-1.49
TPSA129.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(3-cyanopropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 78897205
5-[4-[3-[(4-fluorophenyl)sulfonylamino]propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691954
5-[4-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55691867
5-[4-[3-(1-methyltetrazol-5-yl)sulfanylpropanoyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55963055
5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 46455552
3-(4-ethylsulfonylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980697
5-[4-(4-aminobenzoyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119733816
5-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 126777213
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295058
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
5-[4-(piperidine-2-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide;hydrochloride
CID 119295057

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The IUPAC name of 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide (CID 120981052) is 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide.
What is the SMILES notation for 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The canonical SMILES for 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is NC(=O)c1ccc(S(=O)(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)o1.
What is the InChIKey of 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
The InChIKey is MDAKQIOGONPACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O5S/c17-16(23)13-1-2-15(26-13)27(24,25)21-11-9-19(10-12-21)6-3-14(22)20-7-4-18-5-8-20/h1-2,18H,3-12H2,(H2,17,23).
What are the key properties of 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide?
5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide has a molecular weight of 399.47 g/mol, XLogP of -1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-1-yl]sulfonylfuran-2-carboxamide is sourced from PubChem (CID 120981052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).