(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide

C24H24F2N4O2 — CID 95115899

IUPAC(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C24H24F2N4O2/c25-20-8-9-22(26)19(11-20)13-27-24(32)18-7-4-10-29(16-18)21-12-23(31)30(28-14-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,14,18H,4,7,10,13,15-16H2,(H,27,32)/t18-/m1/s1
InChIKeyZKLQTIQZXDNRKM-GOSISDBHSA-N
MW438.48 g/mol
LogP3.10
Rot. Bonds6

About (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 95115899) has the molecular formula C24H24F2N4O2 and a molecular weight of 438.48 g/mol. Its IUPAC name is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID95115899
Molecular FormulaC24H24F2N4O2
Molecular Weight438.48 g/mol
Exact Mass438.19
IUPAC Name(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1
InChIInChI=1S/C24H24F2N4O2/c25-20-8-9-22(26)19(11-20)13-27-24(32)18-7-4-10-29(16-18)21-12-23(31)30(28-14-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,14,18H,4,7,10,13,15-16H2,(H,27,32)/t18-/m1/s1
InChIKeyZKLQTIQZXDNRKM-GOSISDBHSA-N
XLogP3.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-piperidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 53204140
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95115799
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 53204075
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 95116015
(3S)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 95115735
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95115844
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 95115892
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
(3R)-N-[2-[benzyl(ethyl)amino]ethyl]-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115958
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(3-ethylphenyl)piperidine-3-carboxamide
CID 53204023
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202223
(3R)-N-(1,3-benzodioxol-5-yl)-1-(1-benzyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115739

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide (CID 95115899) is (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide is O=C(NCc1cc(F)ccc1F)[C@@H]1CCCN(c2cnn(Cc3ccccc3)c(=O)c2)C1.
What is the InChIKey of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is ZKLQTIQZXDNRKM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H24F2N4O2/c25-20-8-9-22(26)19(11-20)13-27-24(32)18-7-4-10-29(16-18)21-12-23(31)30(28-14-21)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,11-12,14,18H,4,7,10,13,15-16H2,(H,27,32)/t18-/m1/s1.
What are the key properties of (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide?
(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95115899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).