4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

C18H21FN4OS — CID 145127349

IUPAC4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(Sc1cccc(F)c1)C1CCN(C(=O)Nc2ccnnc2)CC1
InChIInChI=1S/C18H21FN4OS/c1-13(25-17-4-2-3-15(19)11-17)14-6-9-23(10-7-14)18(24)22-16-5-8-20-21-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,22,24)
InChIKeyBDIAWTNNXMJNSN-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.04
Rot. Bonds4

About 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide

4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (PubChem CID 145127349) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
PubChem CID145127349
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC Name4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
SMILESCC(Sc1cccc(F)c1)C1CCN(C(=O)Nc2ccnnc2)CC1
InChIInChI=1S/C18H21FN4OS/c1-13(25-17-4-2-3-15(19)11-17)14-6-9-23(10-7-14)18(24)22-16-5-8-20-21-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,22,24)
InChIKeyBDIAWTNNXMJNSN-UHFFFAOYSA-N
XLogP4.04
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The IUPAC name of 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide (CID 145127349) is 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The canonical SMILES for 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is CC(Sc1cccc(F)c1)C1CCN(C(=O)Nc2ccnnc2)CC1.
What is the InChIKey of 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
The InChIKey is BDIAWTNNXMJNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-13(25-17-4-2-3-15(19)11-17)14-6-9-23(10-7-14)18(24)22-16-5-8-20-21-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,20,22,24).
What are the key properties of 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide?
4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluorophenyl)sulfanylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide is sourced from PubChem (CID 145127349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).