N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide

C20H23FN4O2 — CID 72894561

IUPACN-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccnnc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-18-4-1-16(2-5-18)13-22-19(26)6-3-15-8-11-25(12-9-15)20(27)17-7-10-23-24-14-17/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,26)
InChIKeyJZPICMSHJNQVST-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.56
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 72894561) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID72894561
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(C(=O)c2ccnnc2)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-18-4-1-16(2-5-18)13-22-19(26)6-3-15-8-11-25(12-9-15)20(27)17-7-10-23-24-14-17/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,26)
InChIKeyJZPICMSHJNQVST-UHFFFAOYSA-N
XLogP2.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide (CID 72894561) is N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(C(=O)c2ccnnc2)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is JZPICMSHJNQVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-18-4-1-16(2-5-18)13-22-19(26)6-3-15-8-11-25(12-9-15)20(27)17-7-10-23-24-14-17/h1-2,4-5,7,10,14-15H,3,6,8-9,11-13H2,(H,22,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 370.43 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-(pyridazine-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 72894561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).