(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'}

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Related Compounds

4-[2-(prop-2-enoylamino)ethyl]piperidine-1-carboxylic acid
CID 90460311
2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
CID 85039251
5-(1-iodopiperidin-4-yl)pent-1-en-3-one
CID 155188963
5-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]pent-1-en-3-one;propane
CID 176684022
4-cyclohexyl-N-[3-[4-[3-(4-cyclohexylbutanoylamino)propyl]piperazin-1-yl]propyl]butanamide
CID 70429171
(2E)-N-[(1-benzylpiperidin-4-yl)methyl]-2-hydroxyiminoacetamide;hydrochloride
CID 73335428
8-(azepan-1-yl)-1-hydroxyiminooctan-2-one
CID 6817366
N-[3-(1-aminoethenylamino)propyl]-3-[4-[3-[1-[3-[3-(1-aminoethenylamino)propylamino]-3-oxopropyl]piperidin-4-yl]propyl]piperidin-1-yl]propanamide
CID 121306066
(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide
CID 78323809
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
2-methylidene-N-[2-(prop-2-enoylamino)ethyl]-5-pyrrolidin-1-ylpentanamide
CID 163501732

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).