N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

C17H25N5O — CID 95352596

IUPACN-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CCCC1
InChIInChI=1S/C17H25N5O/c18-14-17(7-2-3-8-17)20-16(23)13-21-10-4-1-6-15(21)12-22-11-5-9-19-22/h5,9,11,15H,1-4,6-8,10,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyYFCZMYGTYXMYAG-OAHLLOKOSA-N
MW315.42 g/mol
LogP1.69
Rot. Bonds5

About N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide

N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (PubChem CID 95352596) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
PubChem CID95352596
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC NameN-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
SMILESN#CC1(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CCCC1
InChIInChI=1S/C17H25N5O/c18-14-17(7-2-3-8-17)20-16(23)13-21-10-4-1-6-15(21)12-22-11-5-9-19-22/h5,9,11,15H,1-4,6-8,10,12-13H2,(H,20,23)/t15-/m1/s1
InChIKeyYFCZMYGTYXMYAG-OAHLLOKOSA-N
XLogP1.69
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62015517
2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetonitrile
CID 95609183
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 92613187
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95310269
N-(1-cyanocyclopentyl)-2-[(2S)-2-cyclopentylpyrrolidin-1-yl]acetamide
CID 94632936
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
N-(5-chloro-2-pyridinyl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 56780407
N-(1-cyanocyclohexyl)-2-[2-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 111106823
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
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-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide (CID 95352596) is N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is N#CC1(NC(=O)CN2CCCC[C@@H]2Cn2cccn2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
The InChIKey is YFCZMYGTYXMYAG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5O/c18-14-17(7-2-3-8-17)20-16(23)13-21-10-4-1-6-15(21)12-22-11-5-9-19-22/h5,9,11,15H,1-4,6-8,10,12-13H2,(H,20,23)/t15-/m1/s1.
What are the key properties of N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide?
N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 95352596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).