[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

C16H27N5O2 — CID 42159078

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(CCN3CCCCC3)nn2)C[C@H](C)O1
InChIInChI=1S/C16H27N5O2/c1-13-10-20(11-14(2)23-13)16(22)15-12-21(18-17-15)9-8-19-6-4-3-5-7-19/h12-14H,3-11H2,1-2H3/t13-,14+
InChIKeyJUMHLCHAOKFMPS-OKILXGFUSA-N
MW321.43 g/mol
LogP1.01
Rot. Bonds4

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (PubChem CID 42159078) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
PubChem CID42159078
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn(CCN3CCCCC3)nn2)C[C@H](C)O1
InChIInChI=1S/C16H27N5O2/c1-13-10-20(11-14(2)23-13)16(22)15-12-21(18-17-15)9-8-19-6-4-3-5-7-19/h12-14H,3-11H2,1-2H3/t13-,14+
InChIKeyJUMHLCHAOKFMPS-OKILXGFUSA-N
XLogP1.01
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone with MolForge

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Related Compounds

2-({1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)-1,2-oxazinane
CID 42095023
(1-Heptyltriazol-4-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 137647819
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
[2,2-Dimethyl-6-(trifluoromethyl)morpholin-4-yl]-[1-[(3-methyloxetan-3-yl)methyl]triazol-4-yl]methanone
CID 128500176
1-(1-cyclopentylpiperidin-4-yl)-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42397172
4-({1-[(1-cyclohexyl-1H-1,2,3-triazol-4-yl)carbonyl]-3-piperidinyl}carbonyl)morpholine
CID 45188846
3-(4-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-1H-1,2,3-triazol-1-yl)-1-propanamine
CID 56868586
1,5-anhydro-2,3-dideoxy-4-O-methyl-3-({[1-(2-piperazin-1-ylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)-D-threo-pentitol
CID 91772020
1-(cyclohexylmethyl)-N-methyl-N-[4-(4-morpholinyl)butyl]-1H-1,2,3-triazole-4-carboxamide
CID 25280284
N-(cyclobutylmethyl)-1-(2-morpholin-4-ylethyl)-N-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 25293011
1-[2-(diethylamino)-2-oxoethyl]-N-isopropyl-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45597219
N-(2-methoxyethyl)-1-(piperidin-3-ylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 50965089

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone (CID 42159078) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn(CCN3CCCCC3)nn2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
The InChIKey is JUMHLCHAOKFMPS-OKILXGFUSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-13-10-20(11-14(2)23-13)16(22)15-12-21(18-17-15)9-8-19-6-4-3-5-7-19/h12-14H,3-11H2,1-2H3/t13-,14+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone has a molecular weight of 321.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone is sourced from PubChem (CID 42159078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).