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

C15H22N4O — CID 128504001

IUPAC[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1C[C@@H]1C1CC1)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(14-9-13(14)12-1-2-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h5,8,11-14H,1-4,6-7,9-10H2/t13-,14+/m1/s1
InChIKeyIJBUQVGHQKSWCO-KGLIPLIRSA-N
MW274.37 g/mol
LogP1.56
Rot. Bonds4

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

[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 128504001) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID128504001
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C([C@H]1C[C@@H]1C1CC1)N1CCC(Cn2ccnn2)CC1
InChIInChI=1S/C15H22N4O/c20-15(14-9-13(14)12-1-2-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h5,8,11-14H,1-4,6-7,9-10H2/t13-,14+/m1/s1
InChIKeyIJBUQVGHQKSWCO-KGLIPLIRSA-N
XLogP1.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,3S)-2-amino-3-methyl-1-[4-(triazol-1-ylmethyl)piperidin-1-yl]pentan-1-one;hydrochloride
CID 86784374
N-[[1-[(1R,2R)-2-cyclobutylcyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 99775405
N-(1-propylpyrazol-4-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 126773265
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
2-(2-bicyclo[2.2.1]heptanyl)-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 127643910
N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 146143132
2,2-dimethyl-5-phenyl-1-[4-(triazol-1-ylmethyl)piperidin-1-yl]pentan-1-one
CID 126782225
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 99623368
oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
CID 126857923
1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906688
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43556263
cyclobutyl-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495103

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone (CID 128504001) is [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone is O=C([C@H]1C[C@@H]1C1CC1)N1CCC(Cn2ccnn2)CC1.
What is the InChIKey of [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IJBUQVGHQKSWCO-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H22N4O/c20-15(14-9-13(14)12-1-2-12)18-6-3-11(4-7-18)10-19-8-5-16-17-19/h5,8,11-14H,1-4,6-7,9-10H2/t13-,14+/m1/s1.
What are the key properties of [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone?
[(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 274.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-cyclopropylcyclopropyl]-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 128504001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).