[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

C21H24N4O2 — CID 42194310

IUPAC[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESCOC[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C21H24N4O2/c1-27-15-18-10-4-5-12-25(18)21(26)20-14-24(23-22-20)13-17-9-6-8-16-7-2-3-11-19(16)17/h2-3,6-9,11,14,18H,4-5,10,12-13,15H2,1H3/t18-/m0/s1
InChIKeyUEGTVSMQKVUQDO-SFHVURJKSA-N
MW364.45 g/mol
LogP3.12
Rot. Bonds5

About [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone

[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (PubChem CID 42194310) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
PubChem CID42194310
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
SMILESCOC[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C21H24N4O2/c1-27-15-18-10-4-5-12-25(18)21(26)20-14-24(23-22-20)13-17-9-6-8-16-7-2-3-11-19(16)17/h2-3,6-9,11,14,18H,4-5,10,12-13,15H2,1H3/t18-/m0/s1
InChIKeyUEGTVSMQKVUQDO-SFHVURJKSA-N
XLogP3.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
N-[2-[(2R)-1-[1-[(2-chlorophenyl)methyl]triazole-4-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 42191599
ethyl 2-[(2S)-1-[1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carbonyl]piperidin-2-yl]acetate
CID 42297998
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 42244311
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
CID 42212158
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
(8-chloroquinolin-2-yl)-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 50963476
[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 26407162
(5S)-5-[3-[(2S)-2-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 42323302
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 97062773
1-[2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 71917448

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone (CID 42194310) is [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is COC[C@@H]1CCCCN1C(=O)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
The InChIKey is UEGTVSMQKVUQDO-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-15-18-10-4-5-12-25(18)21(26)20-14-24(23-22-20)13-17-9-6-8-16-7-2-3-11-19(16)17/h2-3,6-9,11,14,18H,4-5,10,12-13,15H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone?
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 42194310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).