N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide

C13H22N4O — CID 43090468

IUPACN-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
SMILESN#CC1(NC(=O)CN2CCNCC2)CCCCC1
InChIInChI=1S/C13H22N4O/c14-11-13(4-2-1-3-5-13)16-12(18)10-17-8-6-15-7-9-17/h15H,1-10H2,(H,16,18)
InChIKeyOQEKVALKPRMPQX-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.23
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide

N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide (PubChem CID 43090468) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
PubChem CID43090468
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
SMILESN#CC1(NC(=O)CN2CCNCC2)CCCCC1
InChIInChI=1S/C13H22N4O/c14-11-13(4-2-1-3-5-13)16-12(18)10-17-8-6-15-7-9-17/h15H,1-10H2,(H,16,18)
InChIKeyOQEKVALKPRMPQX-UHFFFAOYSA-N
XLogP0.23
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
N-(1-cyanocyclopentyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787236
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
N-(1-cyanocyclohexyl)-2-(4-ethylpiperidin-1-yl)acetamide
CID 47281127
N-(1-cyanocyclopentyl)-2-[methyl(2-piperazin-1-ylethyl)amino]acetamide
CID 63265641
N-(1-cyanocyclohexyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
CID 18208029
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(1-cyanocyclohexyl)acetamide
CID 113282484
N-(1-cyanocycloheptyl)-2-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]acetamide
CID 52675624

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide (CID 43090468) is N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide is N#CC1(NC(=O)CN2CCNCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide?
The InChIKey is OQEKVALKPRMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c14-11-13(4-2-1-3-5-13)16-12(18)10-17-8-6-15-7-9-17/h15H,1-10H2,(H,16,18).
What are the key properties of N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide?
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 43090468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).