3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide

C9H17N3O2 — CID 104931033

IUPAC3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
SMILESCC1CN(CCC(N)=O)CCC1=NO
InChIInChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyXLUDTULVUIGLOE-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.03
Rot. Bonds3

About 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide

3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide (PubChem CID 104931033) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
PubChem CID104931033
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
SMILESCC1CN(CCC(N)=O)CCC1=NO
InChIInChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13)
InChIKeyXLUDTULVUIGLOE-UHFFFAOYSA-N
XLogP0.03
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.03
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

N-(1-decyl-3-methylpiperidin-4-ylidene)hydroxylamine
CID 104931044
N-[3-methyl-1-[(2-methyltetrazol-5-yl)methyl]piperidin-4-ylidene]hydroxylamine
CID 107043401
N-[3-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperidin-4-ylidene]hydroxylamine
CID 104930954
1-(4-hydroxyimino-3-methylpiperidin-1-yl)butan-1-one
CID 104930760
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
(NZ)-N-[1-[2-(2-ethoxyphenoxy)ethyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114501023
1-(4-hydroxyimino-3-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 104930793
N-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 104930942
3-cyclohexyl-1-(4-hydroxyimino-3-methylpiperidin-1-yl)propan-1-one
CID 104930829
N-[1-[(3,3-difluorocyclopentyl)methyl]-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114224136
(4-hydroxyimino-3-methylpiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 104930803
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The IUPAC name of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide (CID 104931033) is 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide is CC1CN(CCC(N)=O)CCC1=NO.
What is the InChIKey of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
The InChIKey is XLUDTULVUIGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-7-6-12(5-3-9(10)13)4-2-8(7)11-14/h7,14H,2-6H2,1H3,(H2,10,13).
What are the key properties of 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide?
3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide has a molecular weight of 199.25 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 104931033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).