[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

C14H23N5O — CID 124699435

IUPAC[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C14H23N5O/c15-13-5-1-4-12(13)14(20)18-6-2-3-11(7-18)8-19-10-16-9-17-19/h9-13H,1-8,15H2/t11-,12+,13-/m1/s1
InChIKeyCGLXYUOAHSHVAI-FRRDWIJNSA-N
MW277.37 g/mol
LogP0.64
Rot. Bonds3

About [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124699435) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID124699435
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESN[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1
InChIInChI=1S/C14H23N5O/c15-13-5-1-4-12(13)14(20)18-6-2-3-11(7-18)8-19-10-16-9-17-19/h9-13H,1-8,15H2/t11-,12+,13-/m1/s1
InChIKeyCGLXYUOAHSHVAI-FRRDWIJNSA-N
XLogP0.64
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120800388
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
2-pyrrolidin-2-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 119883778
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;dihydrochloride
CID 119883763
[(1R,2S)-2-aminocyclopentyl]-[(3R)-3-(ethoxymethyl)piperidin-1-yl]methanone
CID 124683875
(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
CID 97340797
3-methyl-5-[3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 136522063
3-piperidin-4-yl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 119883770
[2-(2,2-difluoroethyl)pyrazol-3-yl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124885688

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 124699435) is [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is N[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](Cn2cncn2)C1.
What is the InChIKey of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is CGLXYUOAHSHVAI-FRRDWIJNSA-N. The full InChI is InChI=1S/C14H23N5O/c15-13-5-1-4-12(13)14(20)18-6-2-3-11(7-18)8-19-10-16-9-17-19/h9-13H,1-8,15H2/t11-,12+,13-/m1/s1.
What are the key properties of [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 277.37 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124699435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).