[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

C23H24N6O — CID 42519464

IUPAC[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESCn1ccnc1[C@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C23H24N6O/c1-27-14-12-24-22(27)21-11-4-5-13-29(21)23(30)20-16-28(26-25-20)15-18-9-6-8-17-7-2-3-10-19(17)18/h2-3,6-10,12,14,16,21H,4-5,11,13,15H2,1H3/t21-/m1/s1
InChIKeyMXSBOFOWMPQXFN-OAQYLSRUSA-N
MW400.49 g/mol
LogP3.58
Rot. Bonds4

About [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (PubChem CID 42519464) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
PubChem CID42519464
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESCn1ccnc1[C@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C23H24N6O/c1-27-14-12-24-22(27)21-11-4-5-13-29(21)23(30)20-16-28(26-25-20)15-18-9-6-8-17-7-2-3-10-19(17)18/h2-3,6-10,12,14,16,21H,4-5,11,13,15H2,1H3/t21-/m1/s1
InChIKeyMXSBOFOWMPQXFN-OAQYLSRUSA-N
XLogP3.58
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26392890
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 42394571
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 42244311
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 42212158
[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 26407162
[1-[(3-chlorophenyl)methyl]triazol-4-yl]-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 26406283
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 45246582
N,N-dimethyl-2-[4-(2-phenylazepane-1-carbonyl)triazol-1-yl]acetamide
CID 136578967
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(1-ethyltriazol-4-yl)methanone
CID 138027573
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (CID 42519464) is [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is Cn1ccnc1[C@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The InChIKey is MXSBOFOWMPQXFN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N6O/c1-27-14-12-24-22(27)21-11-4-5-13-29(21)23(30)20-16-28(26-25-20)15-18-9-6-8-17-7-2-3-10-19(17)18/h2-3,6-10,12,14,16,21H,4-5,11,13,15H2,1H3/t21-/m1/s1.
What are the key properties of [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone has a molecular weight of 400.49 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 42519464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).