5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one

C18H27N3O3 — CID 70724857

IUPAC5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C18H27N3O3/c1-6-14-10-20(7-8-21(14)11(2)3)18(24)16-9-15(13(5)22)12(4)19-17(16)23/h9,11,14H,6-8,10H2,1-5H3,(H,19,23)
InChIKeyNNTRHRBBLUGPFM-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.83
Rot. Bonds4

About 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one

5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one (PubChem CID 70724857) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
PubChem CID70724857
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one
SMILESCCC1CN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CCN1C(C)C
InChIInChI=1S/C18H27N3O3/c1-6-14-10-20(7-8-21(14)11(2)3)18(24)16-9-15(13(5)22)12(4)19-17(16)23/h9,11,14H,6-8,10H2,1-5H3,(H,19,23)
InChIKeyNNTRHRBBLUGPFM-UHFFFAOYSA-N
XLogP1.83
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one (CID 70724857) is 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one is CCC1CN(C(=O)c2cc(C(C)=O)c(C)[nH]c2=O)CCN1C(C)C.
What is the InChIKey of 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
The InChIKey is NNTRHRBBLUGPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-6-14-10-20(7-8-21(14)11(2)3)18(24)16-9-15(13(5)22)12(4)19-17(16)23/h9,11,14H,6-8,10H2,1-5H3,(H,19,23).
What are the key properties of 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one?
5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(3-ethyl-4-propan-2-ylpiperazine-1-carbonyl)-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 70724857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).