N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

C17H18F2N4O2 — CID 53202033

IUPACN-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H18F2N4O2/c18-13-5-11(6-14(19)7-13)9-20-17(25)12-1-3-23(4-2-12)15-8-16(24)22-21-10-15/h5-8,10,12H,1-4,9H2,(H,20,25)(H,22,24)
InChIKeyBEFRFUHZSCZGEW-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.58
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202033) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202033
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C17H18F2N4O2/c18-13-5-11(6-14(19)7-13)9-20-17(25)12-1-3-23(4-2-12)15-8-16(24)22-21-10-15/h5-8,10,12H,1-4,9H2,(H,20,25)(H,22,24)
InChIKeyBEFRFUHZSCZGEW-UHFFFAOYSA-N
XLogP1.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide (CID 53202033) is N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is BEFRFUHZSCZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-13-5-11(6-14(19)7-13)9-20-17(25)12-1-3-23(4-2-12)15-8-16(24)22-21-10-15/h5-8,10,12H,1-4,9H2,(H,20,25)(H,22,24).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).