N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C18H23FN4O3S — CID 4776464

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O3S/c1-2-22-12-14(11-21-22)10-20-18(24)15-4-3-9-23(13-15)27(25,26)17-7-5-16(19)6-8-17/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,24)
InChIKeyTZEKSSJHFZYHEW-UHFFFAOYSA-N
MW394.47 g/mol
LogP1.76
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 4776464) has the molecular formula C18H23FN4O3S and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID4776464
Molecular FormulaC18H23FN4O3S
Molecular Weight394.47 g/mol
Exact Mass394.15
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H23FN4O3S/c1-2-22-12-14(11-21-22)10-20-18(24)15-4-3-9-23(13-15)27(25,26)17-7-5-16(19)6-8-17/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,24)
InChIKeyTZEKSSJHFZYHEW-UHFFFAOYSA-N
XLogP1.76
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 4776464) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is CCn1cc(CNC(=O)C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is TZEKSSJHFZYHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3S/c1-2-22-12-14(11-21-22)10-20-18(24)15-4-3-9-23(13-15)27(25,26)17-7-5-16(19)6-8-17/h5-8,11-12,15H,2-4,9-10,13H2,1H3,(H,20,24).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4776464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).