[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C21H30N6O2 — CID 95209444

IUPAC[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C21H30N6O2/c28-21(20-17-26(24-23-20)12-11-25-13-15-29-16-14-25)27-10-4-2-6-19(27)8-7-18-5-1-3-9-22-18/h1,3,5,9,17,19H,2,4,6-8,10-16H2/t19-/m1/s1
InChIKeyGRBUPLYKIIZCQU-LJQANCHMSA-N
MW398.51 g/mol
LogP1.63
Rot. Bonds7

About [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 95209444) has the molecular formula C21H30N6O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID95209444
Molecular FormulaC21H30N6O2
Molecular Weight398.51 g/mol
Exact Mass398.24
IUPAC Name[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1CCc1ccccn1
InChIInChI=1S/C21H30N6O2/c28-21(20-17-26(24-23-20)12-11-25-13-15-29-16-14-25)27-10-4-2-6-19(27)8-7-18-5-1-3-9-22-18/h1,3,5,9,17,19H,2,4,6-8,10-16H2/t19-/m1/s1
InChIKeyGRBUPLYKIIZCQU-LJQANCHMSA-N
XLogP1.63
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-pyridin-2-ylethanone
CID 56713732
1-morpholin-4-yl-2-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 124844881
(5-propyl-1H-pyrazol-3-yl)-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 70762389
(5-propyl-1H-pyrazol-3-yl)-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97141726
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 45211722

Frequently Asked Questions

What is the IUPAC name of [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 95209444) is [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is O=C(c1cn(CCN2CCOCC2)nn1)N1CCCC[C@@H]1CCc1ccccn1.
What is the InChIKey of [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is GRBUPLYKIIZCQU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N6O2/c28-21(20-17-26(24-23-20)12-11-25-13-15-29-16-14-25)27-10-4-2-6-19(27)8-7-18-5-1-3-9-22-18/h1,3,5,9,17,19H,2,4,6-8,10-16H2/t19-/m1/s1.
What are the key properties of [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
[1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 398.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-morpholin-4-ylethyl)triazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95209444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).