5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

C19H24N4O3 — CID 56738231

IUPAC5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-4-13-10-20-22-17(13)14-5-7-23(8-6-14)19(26)16-9-15(12(3)24)11(2)21-18(16)25/h9-10,14H,4-8H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyMVRSTPILXQYOSY-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.19
Rot. Bonds4

About 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one

5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (PubChem CID 56738231) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
PubChem CID56738231
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
SMILESCCc1cn[nH]c1C1CCN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-4-13-10-20-22-17(13)14-5-7-23(8-6-14)19(26)16-9-15(12(3)24)11(2)21-18(16)25/h9-10,14H,4-8H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyMVRSTPILXQYOSY-UHFFFAOYSA-N
XLogP2.19
TPSA98.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one (CID 56738231) is 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is CCc1cn[nH]c1C1CCN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CC1.
What is the InChIKey of 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is MVRSTPILXQYOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-13-10-20-22-17(13)14-5-7-23(8-6-14)19(26)16-9-15(12(3)24)11(2)21-18(16)25/h9-10,14H,4-8H2,1-3H3,(H,20,22)(H,21,25).
What are the key properties of 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one?
5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 356.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 56738231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).