(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide

C9H17N3O2 — CID 17019739

IUPAC(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
SMILESC/C(=N\O)C(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O2/c1-7(12-14)9(13)11-6-8-2-4-10-5-3-8/h8,10,14H,2-6H2,1H3,(H,11,13)/b12-7+
InChIKeyLLMMROALTGZYNZ-KPKJPENVSA-N
MW199.25 g/mol
LogP-0.05
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide

(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 17019739) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
PubChem CID17019739
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide
SMILESC/C(=N\O)C(=O)NCC1CCNCC1
InChIInChI=1S/C9H17N3O2/c1-7(12-14)9(13)11-6-8-2-4-10-5-3-8/h8,10,14H,2-6H2,1H3,(H,11,13)/b12-7+
InChIKeyLLMMROALTGZYNZ-KPKJPENVSA-N
XLogP-0.05
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
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

methane;N-(piperidin-4-ylmethyl)acetamide
CID 161365348
2-methyl-N-(piperidin-4-ylmethyl)pent-2-enamide
CID 76923281
2-methoxy-N-(piperidin-4-ylmethyl)acetamide
CID 18070130
1-methyl-N-(piperidin-4-ylmethyl)cyclopropane-1-carboxamide
CID 130163320
1-tert-butyl-3-(piperidin-4-ylmethyl)urea
CID 28786559
(Z)-3-(4-fluorophenyl)-2-methyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 86779897
2-fluoro-3-methyl-N-(pyrrolidin-3-ylmethyl)but-2-enamide;hydrochloride
CID 130697516
4-methyl-N-(piperidin-4-ylmethyl)pentanamide
CID 28779882
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678
1-methyl-N-(piperidin-4-ylmethyl)cyclobutane-1-carboxamide
CID 166176335
2-(piperidin-4-ylmethylcarbamoylamino)acetic acid
CID 117234705
2-oxo-2-(piperidin-4-ylmethylamino)ethanesulfinic acid
CID 84685887

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide (CID 17019739) is (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide is C/C(=N\O)C(=O)NCC1CCNCC1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is LLMMROALTGZYNZ-KPKJPENVSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7(12-14)9(13)11-6-8-2-4-10-5-3-8/h8,10,14H,2-6H2,1H3,(H,11,13)/b12-7+.
What are the key properties of (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide?
(2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 199.25 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 17019739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).