[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

C14H23N5O2 — CID 120800388

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCC(Cn3cncn3)C2)O1
InChIInChI=1S/C14H23N5O2/c15-6-12-3-4-13(21-12)14(20)18-5-1-2-11(7-18)8-19-10-16-9-17-19/h9-13H,1-8,15H2/t11?,12-,13+/m1/s1
InChIKeyQZJFLDBTVGKEHT-HDYSRYHKSA-N
MW293.37 g/mol
LogP0.02
Rot. Bonds4

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 120800388) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID120800388
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCC(Cn3cncn3)C2)O1
InChIInChI=1S/C14H23N5O2/c15-6-12-3-4-13(21-12)14(20)18-5-1-2-11(7-18)8-19-10-16-9-17-19/h9-13H,1-8,15H2/t11?,12-,13+/m1/s1
InChIKeyQZJFLDBTVGKEHT-HDYSRYHKSA-N
XLogP0.02
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

N-[3-[4-(1,2,4-triazol-1-yl)butanoyl]-3-azabicyclo[3.2.1]octan-8-yl]oxolane-2-carboxamide
CID 168452939
N-[3-(1,2,4-triazol-1-yl)propyl]oxolane-2-carboxamide
CID 53505429
[5-(Aminomethyl)oxolan-2-yl]-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 80007280
N-ethyl-4-(oxolane-2-carbonyl)-N'-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide
CID 111514838
N'-methyl-4-(oxolane-2-carbonyl)-N-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide;hydroiodide
CID 111514851
N'-methyl-4-(oxolane-2-carbonyl)-N-[4-(1,2,4-triazol-4-yl)butyl]piperazine-1-carboximidamide
CID 111514852
1-[(2-methyltetrahydrofuran-2-yl)carbonyl]-4-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperazine
CID 119059534
1-[(2-methyltetrahydrofuran-2-yl)carbonyl]-4-(4H-1,2,4-triazol-4-yl)piperidine
CID 119066425
N-ethyl-4-(oxolane-2-carbonyl)-N'-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119131821
N-ethyl-4-(oxolane-2-carbonyl)-N'-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
CID 119131822
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119131885
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboximidamide
CID 119131886

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 120800388) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is NC[C@H]1CC[C@@H](C(=O)N2CCCC(Cn3cncn3)C2)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is QZJFLDBTVGKEHT-HDYSRYHKSA-N. The full InChI is InChI=1S/C14H23N5O2/c15-6-12-3-4-13(21-12)14(20)18-5-1-2-11(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 [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 293.37 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 120800388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).