[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

C23H27N5OS — CID 42212158

IUPAC[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C23H27N5OS/c29-23(27-10-8-20(9-11-27)26-12-14-30-15-13-26)22-17-28(25-24-22)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,17,20H,8-16H2
InChIKeyOOCGXDXJPYASKO-UHFFFAOYSA-N
MW421.57 g/mol
LogP3.13
Rot. Bonds4

About [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone

[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 42212158) has the molecular formula C23H27N5OS and a molecular weight of 421.57 g/mol. Its IUPAC name is [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
PubChem CID42212158
Molecular FormulaC23H27N5OS
Molecular Weight421.57 g/mol
Exact Mass421.19
IUPAC Name[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC(N2CCSCC2)CC1
InChIInChI=1S/C23H27N5OS/c29-23(27-10-8-20(9-11-27)26-12-14-30-15-13-26)22-17-28(25-24-22)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,17,20H,8-16H2
InChIKeyOOCGXDXJPYASKO-UHFFFAOYSA-N
XLogP3.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 26407162
[(2S)-2-(methoxymethyl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42194310
morpholin-4-yl-[1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]triazol-4-yl]methanone
CID 45249044
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-[(1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]methanone
CID 42244311
[(2R)-2-(1-methylimidazol-2-yl)piperidin-1-yl]-[1-(naphthalen-1-ylmethyl)triazol-4-yl]methanone
CID 42519464
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25279493
[1-[(2-methylphenyl)methyl]triazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 25449029
[1-[(2-chloro-4-fluorophenyl)methyl]triazol-4-yl]-(4-cyclopentyl-1,4-diazepan-1-yl)methanone
CID 42509865
[1-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42468640
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)triazol-4-yl]-thiomorpholin-4-ylmethanone
CID 45171558

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone (CID 42212158) is [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is O=C(c1cn(Cc2cccc3ccccc23)nn1)N1CCC(N2CCSCC2)CC1.
What is the InChIKey of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is OOCGXDXJPYASKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS/c29-23(27-10-8-20(9-11-27)26-12-14-30-15-13-26)22-17-28(25-24-22)16-19-6-3-5-18-4-1-2-7-21(18)19/h1-7,17,20H,8-16H2.
What are the key properties of [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone?
[1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 421.57 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-1-ylmethyl)triazol-4-yl]-(4-thiomorpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 42212158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).