N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide

C16H27N5O2 — CID 56784345

IUPACN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
SMILESCC1(C)CN(C2(CNC(=O)c3cn[nH]n3)CCCCC2)CCO1
InChIInChI=1S/C16H27N5O2/c1-15(2)12-21(8-9-23-15)16(6-4-3-5-7-16)11-17-14(22)13-10-18-20-19-13/h10H,3-9,11-12H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyFKNOTMAZONSXQA-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.35
Rot. Bonds4

About N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide

N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide (PubChem CID 56784345) has the molecular formula C16H27N5O2 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
PubChem CID56784345
Molecular FormulaC16H27N5O2
Molecular Weight321.42 g/mol
Exact Mass321.22
IUPAC NameN-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide
SMILESCC1(C)CN(C2(CNC(=O)c3cn[nH]n3)CCCCC2)CCO1
InChIInChI=1S/C16H27N5O2/c1-15(2)12-21(8-9-23-15)16(6-4-3-5-7-16)11-17-14(22)13-10-18-20-19-13/h10H,3-9,11-12H2,1-2H3,(H,17,22)(H,18,19,20)
InChIKeyFKNOTMAZONSXQA-UHFFFAOYSA-N
XLogP1.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclohexylmethyl)-N-methyl-N-[4-(4-morpholinyl)butyl]-1H-1,2,3-triazole-4-carboxamide
CID 25280284
2-ethyl-N-(2-methyl-2-morpholin-4-ylpropyl)triazole-4-carboxamide
CID 137973131
N-[[(2R)-6,6-dimethyloxan-2-yl]methyl]-2-ethyltriazole-4-carboxamide
CID 164638739
[(2R)-2-tert-butylmorpholin-4-yl]-(2H-triazol-4-yl)methanone
CID 164641192
2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
CID 164643088
2,2-dimethyl-4-{[1-(piperidin-3-ylmethyl)-1H-1,2,3-triazol-4-yl]carbonyl}morpholine
CID 56708571
tert-butyl 4-((1H-1,2,3-triazole-4-carboxamido)methyl)piperidine-1-carboxylate
CID 71143586
2-(2H-triazole-4-carbonylamino)ethyl piperidine-1-carboxylate
CID 90219417
N-(3-morpholin-4-ylpropyl)-2H-triazole-4-carboxamide
CID 110475464
N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 154319934
N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide;hydrochloride
CID 162327405
2-cyclohexyl-N-[2-(4-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-1H-1,2,3-triazol-1-yl)ethyl]acetamide
CID 31193202

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide?
The IUPAC name of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide (CID 56784345) is N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide?
The canonical SMILES for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide is CC1(C)CN(C2(CNC(=O)c3cn[nH]n3)CCCCC2)CCO1.
What is the InChIKey of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide?
The InChIKey is FKNOTMAZONSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-15(2)12-21(8-9-23-15)16(6-4-3-5-7-16)11-17-14(22)13-10-18-20-19-13/h10H,3-9,11-12H2,1-2H3,(H,17,22)(H,18,19,20).
What are the key properties of N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide?
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 56784345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).