4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C19H26N4O2 — CID 91830233

IUPAC4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnn(CC2CCN(C(=O)c3c(C)c(C)c(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-12-9-20-23(10-12)11-16-5-7-22(8-6-16)19(25)17-14(3)13(2)15(4)21-18(17)24/h9-10,16H,5-8,11H2,1-4H3,(H,21,24)
InChIKeyDEBXCWQOZUNYGJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.36
Rot. Bonds3

About 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one

4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91830233) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91830233
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1cnn(CC2CCN(C(=O)c3c(C)c(C)c(C)[nH]c3=O)CC2)c1
InChIInChI=1S/C19H26N4O2/c1-12-9-20-23(10-12)11-16-5-7-22(8-6-16)19(25)17-14(3)13(2)15(4)21-18(17)24/h9-10,16H,5-8,11H2,1-4H3,(H,21,24)
InChIKeyDEBXCWQOZUNYGJ-UHFFFAOYSA-N
XLogP2.36
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

(5-methyl-1-propylpyrazol-4-yl)-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 72866375
[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95725520
[1-(2-aminoethyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70785601
1-methyl-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 70661040
[1-(4-aminocyclohexyl)triazol-4-yl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70781969
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-2-thiophen-3-ylethanone
CID 118771293
[3-(3-hydroxy-3-methylbutyl)phenyl]-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 70767184
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 118771094
[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methanone
CID 72891602
N-[(3,3-dimethylcyclohexyl)methyl]-4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carboxamide
CID 166351619
1-(3-methylbutyl)-4-[(4-methylpyrazol-1-yl)methyl]piperidine
CID 153390633
4-[(4-tert-butylpyrazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 146381080

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 91830233) is 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1cnn(CC2CCN(C(=O)c3c(C)c(C)c(C)[nH]c3=O)CC2)c1.
What is the InChIKey of 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is DEBXCWQOZUNYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-12-9-20-23(10-12)11-16-5-7-22(8-6-16)19(25)17-14(3)13(2)15(4)21-18(17)24/h9-10,16H,5-8,11H2,1-4H3,(H,21,24).
What are the key properties of 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-3-[4-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91830233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).