2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride

C9H18ClN3O2 — CID 85039251

IUPAC2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(C=NO)NCCN1CCCCC1
InChIInChI=1S/C9H17N3O2.ClH/c13-9(8-11-14)10-4-7-12-5-2-1-3-6-12;/h8,14H,1-7H2,(H,10,13);1H
InChIKeyMUHPTBKDTAZKMW-UHFFFAOYSA-N
MW235.71 g/mol
LogP0.47
Rot. Bonds4

About 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride

2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride (PubChem CID 85039251) has the molecular formula C9H18ClN3O2 and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
PubChem CID85039251
Molecular FormulaC9H18ClN3O2
Molecular Weight235.71 g/mol
Exact Mass235.11
IUPAC Name2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride
SMILESCl.O=C(C=NO)NCCN1CCCCC1
InChIInChI=1S/C9H17N3O2.ClH/c13-9(8-11-14)10-4-7-12-5-2-1-3-6-12;/h8,14H,1-7H2,(H,10,13);1H
InChIKeyMUHPTBKDTAZKMW-UHFFFAOYSA-N
XLogP0.47
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 50.47
H-Bond Donors ≤ 52
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

(2Z)-2-hydroxyimino-N-[2-(1,4-thiazepan-4-yl)ethyl]acetamide
CID 78323809
4-[2-(azepan-1-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61241160
(E)-4-oxo-4-(2-piperidin-1-ylethylamino)but-2-enoic acid
CID 94229293
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
(2Z)-2-hydroxyimino-N-(2-piperidin-1-ylethyl)propanamide
CID 6401184
2,2-difluoro-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 103514781
8-(azepan-1-yl)-1-hydroxyiminooctan-2-one
CID 6817366
N-[2-(azepan-1-yl)ethyl]-4-hydroxybutanamide
CID 79193390
(2E)-N-[(2S)-1-(azepan-1-yl)propan-2-yl]-2-hydroxyiminoacetamide
CID 138652142
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride (CID 85039251) is 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride is Cl.O=C(C=NO)NCCN1CCCCC1.
What is the InChIKey of 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride?
The InChIKey is MUHPTBKDTAZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2.ClH/c13-9(8-11-14)10-4-7-12-5-2-1-3-6-12;/h8,14H,1-7H2,(H,10,13);1H.
What are the key properties of 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride?
2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-N-(2-piperidin-1-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 85039251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).