N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H22N4O4S — CID 71797323

IUPACN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1ccco1
InChIInChI=1S/C16H22N4O4S/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21)
InChIKeyWBGMIEQVECZIQX-UHFFFAOYSA-N
MW366.44 g/mol
LogP0.97
Rot. Bonds5

About N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 71797323) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID71797323
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC NameN-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1ccco1
InChIInChI=1S/C16H22N4O4S/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21)
InChIKeyWBGMIEQVECZIQX-UHFFFAOYSA-N
XLogP0.97
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 71797323) is N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is Cn1nc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1-c1ccco1.
What is the InChIKey of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is WBGMIEQVECZIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-19-14(15-4-3-9-24-15)10-13(18-19)11-17-16(21)12-5-7-20(8-6-12)25(2,22)23/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,17,21).
What are the key properties of N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-yl)-1-methylpyrazol-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 71797323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).