N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C9H16N4O — CID 82755097

IUPACN-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)NCC#N
InChIInChI=1S/C9H16N4O/c1-8-6-11-4-5-13(8)7-9(14)12-3-2-10/h8,11H,3-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyKGSAMUQRFHHZHT-QMMMGPOBSA-N
MW196.25 g/mol
LogP-1.08
Rot. Bonds3

About N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82755097) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82755097
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)NCC#N
InChIInChI=1S/C9H16N4O/c1-8-6-11-4-5-13(8)7-9(14)12-3-2-10/h8,11H,3-7H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyKGSAMUQRFHHZHT-QMMMGPOBSA-N
XLogP-1.08
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-1.08
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-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214
2-[(2R)-2-methylpiperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 82713294
N,6-dimethyl-7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododecane-1-carboxamide
CID 69170462
N-cycloheptyl-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916512
N-(butylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673671
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704951
2-[(2R)-2-methylpiperazin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)acetyl]acetamide
CID 82756124

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82755097) is N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is KGSAMUQRFHHZHT-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4O/c1-8-6-11-4-5-13(8)7-9(14)12-3-2-10/h8,11H,3-7H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 196.25 g/mol, XLogP of -1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82755097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).