1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide

C16H18N4O2 — CID 53202067

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H18N4O2/c21-15-10-14(11-17-19-15)20-8-6-12(7-9-20)16(22)18-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,18,22)(H,19,21)
InChIKeyNFICPFWWDHCWBW-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.62
Rot. Bonds3

About 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide (PubChem CID 53202067) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
PubChem CID53202067
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C16H18N4O2/c21-15-10-14(11-17-19-15)20-8-6-12(7-9-20)16(22)18-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,18,22)(H,19,21)
InChIKeyNFICPFWWDHCWBW-UHFFFAOYSA-N
XLogP1.62
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 114393008
1-(6-oxo-1H-pyridazin-4-yl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 53202042
N-(3,5-dichlorophenyl)-1-phenylpiperidine-4-carboxamide
CID 17152302
(3S)-N-(3,4-dimethylphenyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115303
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393138
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115412
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115413
N-phenyl-1-[4-(2,4,4-trimethylpentan-2-yl)phenyl]piperidine-4-carboxamide
CID 172634540
N-phenyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53062015
1-(2-amino-2-oxoethyl)-N-phenylpiperidine-4-carboxamide
CID 9134210
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
1-phenyl-N-(2,4,5-trichlorophenyl)piperidine-4-carboxamide
CID 17152279

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide (CID 53202067) is 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide?
The InChIKey is NFICPFWWDHCWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15-10-14(11-17-19-15)20-8-6-12(7-9-20)16(22)18-13-4-2-1-3-5-13/h1-5,10-12H,6-9H2,(H,18,22)(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 53202067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).