N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide

C22H29FN4O3 — CID 45195536

IUPACN-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F
InChIInChI=1S/C22H29FN4O3/c23-19-6-2-1-5-17(19)14-24-20(28)10-7-16-4-3-13-27(15-16)22(30)12-9-18-8-11-21(29)26-25-18/h1-2,5-6,16H,3-4,7-15H2,(H,24,28)(H,26,29)
InChIKeyYQMWCVLUITYCKH-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.51
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide (PubChem CID 45195536) has the molecular formula C22H29FN4O3 and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide
PubChem CID45195536
Molecular FormulaC22H29FN4O3
Molecular Weight416.50 g/mol
Exact Mass416.22
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F
InChIInChI=1S/C22H29FN4O3/c23-19-6-2-1-5-17(19)14-24-20(28)10-7-16-4-3-13-27(15-16)22(30)12-9-18-8-11-21(29)26-25-18/h1-2,5-6,16H,3-4,7-15H2,(H,24,28)(H,26,29)
InChIKeyYQMWCVLUITYCKH-UHFFFAOYSA-N
XLogP2.51
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide (CID 45195536) is N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)CCC2=NNC(=O)CC2)C1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide?
The InChIKey is YQMWCVLUITYCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3/c23-19-6-2-1-5-17(19)14-24-20(28)10-7-16-4-3-13-27(15-16)22(30)12-9-18-8-11-21(29)26-25-18/h1-2,5-6,16H,3-4,7-15H2,(H,24,28)(H,26,29).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide has a molecular weight of 416.50 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45195536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).