3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one

C16H23N3O2 — CID 154591604

IUPAC3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESC=CC(=O)N1CCN(Cc2ccc(C(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-15(20)19-9-7-18(8-10-19)11-13-5-6-14(12(2)3)16(21)17-13/h4-6,12H,1,7-11H2,2-3H3,(H,17,21)
InChIKeyZJUUEAMNQFLUGY-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.33
Rot. Bonds4

About 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one

3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 154591604) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID154591604
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one
SMILESC=CC(=O)N1CCN(Cc2ccc(C(C)C)c(=O)[nH]2)CC1
InChIInChI=1S/C16H23N3O2/c1-4-15(20)19-9-7-18(8-10-19)11-13-5-6-14(12(2)3)16(21)17-13/h4-6,12H,1,7-11H2,2-3H3,(H,17,21)
InChIKeyZJUUEAMNQFLUGY-UHFFFAOYSA-N
XLogP1.33
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one (CID 154591604) is 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one is C=CC(=O)N1CCN(Cc2ccc(C(C)C)c(=O)[nH]2)CC1.
What is the InChIKey of 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is ZJUUEAMNQFLUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-15(20)19-9-7-18(8-10-19)11-13-5-6-14(12(2)3)16(21)17-13/h4-6,12H,1,7-11H2,2-3H3,(H,17,21).
What are the key properties of 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one?
3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 289.38 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-[(4-prop-2-enoylpiperazin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 154591604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).