N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C18H26N4O4S — CID 122265610

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccco2)n1
InChIInChI=1S/C18H26N4O4S/c1-13-11-14(2)22(20-13)16(17-5-4-10-26-17)12-19-18(23)15-6-8-21(9-7-15)27(3,24)25/h4-5,10-11,15-16H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyCMRXMLDYHWGSRQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP1.47
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 122265610) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID122265610
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccco2)n1
InChIInChI=1S/C18H26N4O4S/c1-13-11-14(2)22(20-13)16(17-5-4-10-26-17)12-19-18(23)15-6-8-21(9-7-15)27(3,24)25/h4-5,10-11,15-16H,6-9,12H2,1-3H3,(H,19,23)
InChIKeyCMRXMLDYHWGSRQ-UHFFFAOYSA-N
XLogP1.47
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
CID 122244409
5-cyclopropyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 122244410
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]benzamide
CID 122265518
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 122265553

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 122265610) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is Cc1cc(C)n(C(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is CMRXMLDYHWGSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-13-11-14(2)22(20-13)16(17-5-4-10-26-17)12-19-18(23)15-6-8-21(9-7-15)27(3,24)25/h4-5,10-11,15-16H,6-9,12H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 122265610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).