N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

C20H27FN4O3 — CID 127053700

IUPACN-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C20H27FN4O3/c1-24-17(23-18(12-20(24)27)25-6-8-28-9-7-25)11-19(26)22-14-4-5-16(21)15(10-14)13-2-3-13/h4-5,10,13,17-18,23H,2-3,6-9,11-12H2,1H3,(H,22,26)
InChIKeyVEJVJBZSQZEUBQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.47
Rot. Bonds5

About N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide

N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (PubChem CID 127053700) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
PubChem CID127053700
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC NameN-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
SMILESCN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C20H27FN4O3/c1-24-17(23-18(12-20(24)27)25-6-8-28-9-7-25)11-19(26)22-14-4-5-16(21)15(10-14)13-2-3-13/h4-5,10,13,17-18,23H,2-3,6-9,11-12H2,1H3,(H,22,26)
InChIKeyVEJVJBZSQZEUBQ-UHFFFAOYSA-N
XLogP1.47
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(difluoromethyl)-4-fluorophenyl]-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 127053702
N-(3-iodophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 77162305
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
CID 130848962
N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 136540100
1-(4-cyclopropyl-3-fluorophenyl)-3-(2-morpholin-4-ylethyl)urea
CID 119048905
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 98599209
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
(2R)-N-(3-cyclopropyl-4-fluorophenyl)-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 124886177
2,2-difluoro-N-(4-fluorophenyl)-2-(4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide
CID 75305960
N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959
2-amino-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 119265799
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-morpholin-4-ylethyl)phenyl]acetamide
CID 119860954

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The IUPAC name of N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide (CID 127053700) is N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide.
What is the SMILES notation for N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The canonical SMILES for N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is CN1C(=O)CC(N2CCOCC2)NC1CC(=O)Nc1ccc(F)c(C2CC2)c1.
What is the InChIKey of N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
The InChIKey is VEJVJBZSQZEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-24-17(23-18(12-20(24)27)25-6-8-28-9-7-25)11-19(26)22-14-4-5-16(21)15(10-14)13-2-3-13/h4-5,10,13,17-18,23H,2-3,6-9,11-12H2,1H3,(H,22,26).
What are the key properties of N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide?
N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide has a molecular weight of 390.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxo-1,3-diazinan-2-yl)acetamide is sourced from PubChem (CID 127053700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).