(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide

C15H25N3O3 — CID 172956862

IUPAC(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide
SMILESC=CC(=O)CCCN1CCC(CCNC(=O)/C=N\O)CC1
InChIInChI=1S/C15H25N3O3/c1-2-14(19)4-3-9-18-10-6-13(7-11-18)5-8-16-15(20)12-17-21/h2,12-13,21H,1,3-11H2,(H,16,20)/b17-12-
InChIKeyMSLGYWKJVAFSKZ-ATVHPVEESA-N
MW295.38 g/mol
LogP1.20
Rot. Bonds9

About (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide

(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide (PubChem CID 172956862) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide
PubChem CID172956862
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide
SMILESC=CC(=O)CCCN1CCC(CCNC(=O)/C=N\O)CC1
InChIInChI=1S/C15H25N3O3/c1-2-14(19)4-3-9-18-10-6-13(7-11-18)5-8-16-15(20)12-17-21/h2,12-13,21H,1,3-11H2,(H,16,20)/b17-12-
InChIKeyMSLGYWKJVAFSKZ-ATVHPVEESA-N
XLogP1.20
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide?
The IUPAC name of (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide (CID 172956862) is (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide.
What is the SMILES notation for (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide?
The canonical SMILES for (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide is C=CC(=O)CCCN1CCC(CCNC(=O)/C=N\O)CC1.
What is the InChIKey of (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide?
The InChIKey is MSLGYWKJVAFSKZ-ATVHPVEESA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-14(19)4-3-9-18-10-6-13(7-11-18)5-8-16-15(20)12-17-21/h2,12-13,21H,1,3-11H2,(H,16,20)/b17-12-.
What are the key properties of (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide?
(2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-N-[2-[1-(4-oxohex-5-enyl)piperidin-4-yl]ethyl]acetamide is sourced from PubChem (CID 172956862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).