4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide

C19H24N4O — CID 136562887

IUPAC4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
SMILESCc1nnccc1NC(=O)N1CCC(C)(C)C(c2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-14-17(9-11-20-22-14)21-18(24)23-12-10-19(2,3)16(13-23)15-7-5-4-6-8-15/h4-9,11,16H,10,12-13H2,1-3H3,(H,20,21,24)
InChIKeyNPBYXQJXHORRPZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.83
Rot. Bonds2

About 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide

4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide (PubChem CID 136562887) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
PubChem CID136562887
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide
SMILESCc1nnccc1NC(=O)N1CCC(C)(C)C(c2ccccc2)C1
InChIInChI=1S/C19H24N4O/c1-14-17(9-11-20-22-14)21-18(24)23-12-10-19(2,3)16(13-23)15-7-5-4-6-8-15/h4-9,11,16H,10,12-13H2,1-3H3,(H,20,21,24)
InChIKeyNPBYXQJXHORRPZ-UHFFFAOYSA-N
XLogP3.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(difluoromethyl)pyrazol-4-yl]-4,4-dimethyl-3-phenylpiperidine-1-carboxamide
CID 136562803
3-(4,4-dimethyl-3-phenylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 136566907
4-methyl-1-[(2-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 79043834
(4,4-dimethyl-3-phenylpiperidin-1-yl)-([1,2,4]triazolo[1,5-a]pyridin-5-yl)methanone
CID 136566908
N-(3-methylpyridazin-4-yl)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carboxamide
CID 127931159
(2,4-dimethyl-1,3-oxazol-5-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 124588885
3-methyl-3-phenyl-N-quinolin-4-ylpyrrolidine-1-carboxamide
CID 156839177
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126441051
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
1-[2-(4,4-dimethyl-3-phenylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 154850217

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide?
The IUPAC name of 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide (CID 136562887) is 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide is Cc1nnccc1NC(=O)N1CCC(C)(C)C(c2ccccc2)C1.
What is the InChIKey of 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide?
The InChIKey is NPBYXQJXHORRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-17(9-11-20-22-14)21-18(24)23-12-10-19(2,3)16(13-23)15-7-5-4-6-8-15/h4-9,11,16H,10,12-13H2,1-3H3,(H,20,21,24).
What are the key properties of 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide?
4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(3-methylpyridazin-4-yl)-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 136562887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).