4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one

C18H27N3O3 — CID 143610187

IUPAC4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
SMILESCC(C)CC(C)C(=O)N1CCC(=NOCc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)10-14(3)18(23)21-8-5-16(6-9-21)20-24-12-15-4-7-19-17(22)11-15/h4,7,11,13-14H,5-6,8-10,12H2,1-3H3,(H,19,22)
InChIKeyYBPCAYQEQVYXKC-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.55
Rot. Bonds6

About 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one

4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one (PubChem CID 143610187) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
PubChem CID143610187
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one
SMILESCC(C)CC(C)C(=O)N1CCC(=NOCc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H27N3O3/c1-13(2)10-14(3)18(23)21-8-5-16(6-9-21)20-24-12-15-4-7-19-17(22)11-15/h4,7,11,13-14H,5-6,8-10,12H2,1-3H3,(H,19,22)
InChIKeyYBPCAYQEQVYXKC-UHFFFAOYSA-N
XLogP2.55
TPSA74.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one?
The IUPAC name of 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one (CID 143610187) is 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one is CC(C)CC(C)C(=O)N1CCC(=NOCc2cc[nH]c(=O)c2)CC1.
What is the InChIKey of 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one?
The InChIKey is YBPCAYQEQVYXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(2)10-14(3)18(23)21-8-5-16(6-9-21)20-24-12-15-4-7-19-17(22)11-15/h4,7,11,13-14H,5-6,8-10,12H2,1-3H3,(H,19,22).
What are the key properties of 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one?
4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one has a molecular weight of 333.43 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2,4-dimethylpentanoyl)piperidin-4-ylidene]amino]oxymethyl]-1H-pyridin-2-one is sourced from PubChem (CID 143610187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).