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

C13H22N4O — CID 82755298

IUPACN-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H22N4O/c1-11-8-15-6-7-17(11)9-12(18)16-13(10-14)4-2-3-5-13/h11,15H,2-9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyKVUMLLWMYRVKLI-NSHDSACASA-N
MW250.35 g/mol
LogP0.23
Rot. Bonds3

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

N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82755298) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82755298
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)NC1(C#N)CCCC1
InChIInChI=1S/C13H22N4O/c1-11-8-15-6-7-17(11)9-12(18)16-13(10-14)4-2-3-5-13/h11,15H,2-9H2,1H3,(H,16,18)/t11-/m0/s1
InChIKeyKVUMLLWMYRVKLI-NSHDSACASA-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-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-(1-cyanocyclohexyl)-2-piperazin-1-ylacetamide
CID 43090468
N-(1-cyanocyclohexyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43340980
N-(1-cyanocycloheptyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975491
N-(1-cyanocycloheptyl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102789059
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
2-(azocan-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 2472458
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
CID 94632936
N-(1-cyanocyclopentyl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 47010847
N-(1-cyanocyclopentyl)-2-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 31320175

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82755298) is N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)NC1(C#N)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is KVUMLLWMYRVKLI-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N4O/c1-11-8-15-6-7-17(11)9-12(18)16-13(10-14)4-2-3-5-13/h11,15H,2-9H2,1H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide 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-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82755298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).