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

C17H27N3O — CID 94632936

IUPACN-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCCC1
InChIInChI=1S/C17H27N3O/c18-13-17(9-3-4-10-17)19-16(21)12-20-11-5-8-15(20)14-6-1-2-7-14/h14-15H,1-12H2,(H,19,21)/t15-/m0/s1
InChIKeyDEMPTNRBMKBPJY-HNNXBMFYSA-N
MW289.42 g/mol
LogP2.59
Rot. Bonds4

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

N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide (PubChem CID 94632936) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
PubChem CID94632936
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCCC1
InChIInChI=1S/C17H27N3O/c18-13-17(9-3-4-10-17)19-16(21)12-20-11-5-8-15(20)14-6-1-2-7-14/h14-15H,1-12H2,(H,19,21)/t15-/m0/s1
InChIKeyDEMPTNRBMKBPJY-HNNXBMFYSA-N
XLogP2.59
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
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CID 154755655
N-(1-cyanocyclopentyl)-2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetamide
CID 51339474
N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
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CID 2472458
N-(1-cyanocyclohexyl)-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 51980802
N-(1-cyanocyclopentyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903348
N-(1-cyanocyclopentyl)-2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]acetamide
CID 8833510
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95352596
N-(1-cyanocyclopentyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547397
N-(1-cyanocyclohexyl)-2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]acetamide
CID 9403043
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide (CID 94632936) is N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCC[C@H]2C2CCCC2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide?
The InChIKey is DEMPTNRBMKBPJY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-13-17(9-3-4-10-17)19-16(21)12-20-11-5-8-15(20)14-6-1-2-7-14/h14-15H,1-12H2,(H,19,21)/t15-/m0/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94632936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).