N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide

C9H15N3O2 — CID 62022097

IUPACN-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#CCNC(=O)CN1CCCC(O)C1
InChIInChI=1S/C9H15N3O2/c10-3-4-11-9(14)7-12-5-1-2-8(13)6-12/h8,13H,1-2,4-7H2,(H,11,14)
InChIKeyMBEUDONPYKLSCS-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.92
Rot. Bonds3

About N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide

N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide (PubChem CID 62022097) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
PubChem CID62022097
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC NameN-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide
SMILESN#CCNC(=O)CN1CCCC(O)C1
InChIInChI=1S/C9H15N3O2/c10-3-4-11-9(14)7-12-5-1-2-8(13)6-12/h8,13H,1-2,4-7H2,(H,11,14)
InChIKeyMBEUDONPYKLSCS-UHFFFAOYSA-N
XLogP-0.92
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyanomethyl)acetamide
CID 63846958
N-(1-cyanocyclopentyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 47104633
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 125446181
N-(cyanomethyl)-2-(3-hydroxy-4-methylpyrrolidin-1-yl)acetamide
CID 130949306
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
2-(3-hydroxypiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 60672191
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 107225746
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(2-cyanoethyl)-N-ethyl-2-(3-hydroxypiperidin-1-yl)acetamide
CID 110897527
2-[(3S)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 107225809
N-(cyanomethyl)-2-[4-(cyanomethyl)piperazin-1-yl]acetamide
CID 55218311

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The IUPAC name of N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide (CID 62022097) is N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The canonical SMILES for N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide is N#CCNC(=O)CN1CCCC(O)C1.
What is the InChIKey of N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
The InChIKey is MBEUDONPYKLSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c10-3-4-11-9(14)7-12-5-1-2-8(13)6-12/h8,13H,1-2,4-7H2,(H,11,14).
What are the key properties of N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide?
N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide has a molecular weight of 197.24 g/mol, XLogP of -0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-(3-hydroxypiperidin-1-yl)acetamide is sourced from PubChem (CID 62022097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).