N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide

C10H16N4O2 — CID 104930986

IUPACN-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCC#N)CCC1=NO
InChIInChI=1S/C10H16N4O2/c1-8-6-14(5-2-9(8)13-16)7-10(15)12-4-3-11/h8,16H,2,4-7H2,1H3,(H,12,15)
InChIKeyWAMDFPQQARUVDO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.20
Rot. Bonds3

About N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide

N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide (PubChem CID 104930986) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide
PubChem CID104930986
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide
SMILESCC1CN(CC(=O)NCC#N)CCC1=NO
InChIInChI=1S/C10H16N4O2/c1-8-6-14(5-2-9(8)13-16)7-10(15)12-4-3-11/h8,16H,2,4-7H2,1H3,(H,12,15)
InChIKeyWAMDFPQQARUVDO-UHFFFAOYSA-N
XLogP-0.20
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'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-(2-cyanoethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500477
3-(4-hydroxyimino-3-methylpiperidin-1-yl)propanamide
CID 104931033
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 62022097
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
CID 130949306
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311
(NE)-N-[3-methyl-1-[(4-methylphenyl)methyl]piperidin-4-ylidene]hydroxylamine
CID 114501005
N-cycloheptyl-2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)acetamide
CID 104931466
2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-(cyclopropylmethyl)-2-(3-methyl-4-oxopiperidin-1-yl)acetamide
CID 114500254
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-(cyanomethyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 63847348

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide (CID 104930986) is N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide is CC1CN(CC(=O)NCC#N)CCC1=NO.
What is the InChIKey of N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide?
The InChIKey is WAMDFPQQARUVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-6-14(5-2-9(8)13-16)7-10(15)12-4-3-11/h8,16H,2,4-7H2,1H3,(H,12,15).
What are the key properties of N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide?
N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(4-hydroxyimino-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 104930986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).