1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone

C16H22N2O3 — CID 114509216

IUPAC1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCCC1CN(C(=O)C(OC)c2ccccc2)CC/C1=N\O
InChIInChI=1S/C16H22N2O3/c1-3-12-11-18(10-9-14(12)17-20)16(19)15(21-2)13-7-5-4-6-8-13/h4-8,12,15,20H,3,9-11H2,1-2H3/b17-14+
InChIKeyACKWOEUGMJWDLT-SAPNQHFASA-N
MW290.36 g/mol
LogP2.46
Rot. Bonds4

About 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone

1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone (PubChem CID 114509216) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone.

Molecular Properties

Compound Name1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
PubChem CID114509216
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone
SMILESCCC1CN(C(=O)C(OC)c2ccccc2)CC/C1=N\O
InChIInChI=1S/C16H22N2O3/c1-3-12-11-18(10-9-14(12)17-20)16(19)15(21-2)13-7-5-4-6-8-13/h4-8,12,15,20H,3,9-11H2,1-2H3/b17-14+
InChIKeyACKWOEUGMJWDLT-SAPNQHFASA-N
XLogP2.46
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

phenyl (4E)-3-ethyl-4-hydroxyiminopiperidine-1-carboxylate
CID 114509409
1-(3-hydroxypyrrolidin-1-yl)-2-methoxy-2-phenylethanone
CID 62918304
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 66291678
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methoxy-2-phenylethanone
CID 79030711
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114506492
methyl 1-(2-methoxy-2-phenylacetyl)pyrrolidine-3-carboxylate
CID 112733867
[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-pyridin-4-ylmethanone
CID 114509248
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-phenylethanone;hydrochloride
CID 119413072
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
3-ethyl-4-hydroxyimino-N-propylpiperidine-1-carboxamide
CID 104931324
(3S)-1-[(2R)-2-methoxy-2-phenylacetyl]piperidine-3-carboxylic acid
CID 120684525
1-(2-methoxy-2-phenylacetyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49404500

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone?
The IUPAC name of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone (CID 114509216) is 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone.
What is the SMILES notation for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone?
The canonical SMILES for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone is CCC1CN(C(=O)C(OC)c2ccccc2)CC/C1=N\O.
What is the InChIKey of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone?
The InChIKey is ACKWOEUGMJWDLT-SAPNQHFASA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-12-11-18(10-9-14(12)17-20)16(19)15(21-2)13-7-5-4-6-8-13/h4-8,12,15,20H,3,9-11H2,1-2H3/b17-14+.
What are the key properties of 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone?
1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone has a molecular weight of 290.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-3-ethyl-4-hydroxyiminopiperidin-1-yl]-2-methoxy-2-phenylethanone is sourced from PubChem (CID 114509216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).