2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone

C16H28N4O2 — CID 167882816

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)15-13(11-19(5)17-15)10-18(4)12-14(21)20-6-8-22-9-7-20/h11H,6-10,12H2,1-5H3
InChIKeyVPJZNGFIFIHJOQ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.01
Rot. Bonds4

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone (PubChem CID 167882816) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
PubChem CID167882816
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone
SMILESCN(CC(=O)N1CCOCC1)Cc1cn(C)nc1C(C)(C)C
InChIInChI=1S/C16H28N4O2/c1-16(2,3)15-13(11-19(5)17-15)10-18(4)12-14(21)20-6-8-22-9-7-20/h11H,6-10,12H2,1-5H3
InChIKeyVPJZNGFIFIHJOQ-UHFFFAOYSA-N
XLogP1.01
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791
2-[(5-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570856
2-[methyl-[(2-methyl-3-nitrophenyl)methyl]amino]-1-morpholin-4-ylethanone
CID 60501292
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-ethylamino]acetic acid
CID 83095265
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-1-morpholin-4-ylethanone
CID 62007959
2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60501294
2-[methyl-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]amino]-1-morpholin-4-ylethanone
CID 91843623
2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570878
2-[methyl-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 134033852
2-[methyl-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]amino]-1-morpholin-4-ylethanone
CID 129004021
2-[methyl(methylaminomethyl)amino]-1-morpholin-4-ylethanone
CID 177179015
1-(2-methoxyethyl)-5-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]pyridin-2-one
CID 87054491

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone (CID 167882816) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone is CN(CC(=O)N1CCOCC1)Cc1cn(C)nc1C(C)(C)C.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
The InChIKey is VPJZNGFIFIHJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-16(2,3)15-13(11-19(5)17-15)10-18(4)12-14(21)20-6-8-22-9-7-20/h11H,6-10,12H2,1-5H3.
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone has a molecular weight of 308.43 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl-methylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 167882816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).