(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone

C15H25N5O2 — CID 56708571

IUPAC(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cn(CC3CCCNC3)nn2)CCO1
InChIInChI=1S/C15H25N5O2/c1-15(2)11-19(6-7-22-15)14(21)13-10-20(18-17-13)9-12-4-3-5-16-8-12/h10,12,16H,3-9,11H2,1-2H3
InChIKeyFVIUJOXMWGXWCZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.53
Rot. Bonds3

About (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone

(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone (PubChem CID 56708571) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
PubChem CID56708571
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone
SMILESCC1(C)CN(C(=O)c2cn(CC3CCCNC3)nn2)CCO1
InChIInChI=1S/C15H25N5O2/c1-15(2)11-19(6-7-22-15)14(21)13-10-20(18-17-13)9-12-4-3-5-16-8-12/h10,12,16H,3-9,11H2,1-2H3
InChIKeyFVIUJOXMWGXWCZ-UHFFFAOYSA-N
XLogP0.53
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R*,6S*)-2,6-dimethyl-4-({1-[2-(1-piperidinyl)ethyl]-1H-1,2,3-triazol-4-yl}carbonyl)morpholine
CID 42159078
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
CID 56784345
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
ethyl 4-({[1-(piperidin-3-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}amino)piperidine-1-carboxylate
CID 50962819
3-(4-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-1H-1,2,3-triazol-1-yl)-1-propanamine
CID 56868586
[cis-4-(4-{[2-(4-methylpentyl)-4-morpholinyl]carbonyl}-1H-1,2,3-triazol-1-yl)cyclohexyl]amine
CID 56870107
8-{[1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazol-4-yl]carbonyl}-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70735483
N-(tert-butyl)-4-((1-methyl-1H-1,2,3-triazole-4-carboxamido)methyl)piperidine-1-carboxamide
CID 71806762
[1-(azetidin-3-yl)-1H-1,2,3-triazol-4-yl](morpholin-4-yl)methanone--hydrogen chloride (1/1)
CID 79316340
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

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone (CID 56708571) is (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone is CC1(C)CN(C(=O)c2cn(CC3CCCNC3)nn2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone?
The InChIKey is FVIUJOXMWGXWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2)11-19(6-7-22-15)14(21)13-10-20(18-17-13)9-12-4-3-5-16-8-12/h10,12,16H,3-9,11H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone?
(2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-[1-(piperidin-3-ylmethyl)triazol-4-yl]methanone is sourced from PubChem (CID 56708571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).