2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

C20H27FN4O4 — CID 42868332

IUPAC2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)N1C(=O)CC(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H27FN4O4/c1-14(19(27)22-7-2-8-24-9-11-29-12-10-24)25-18(26)13-17(23-20(25)28)15-3-5-16(21)6-4-15/h3-6,14,17H,2,7-13H2,1H3,(H,22,27)(H,23,28)
InChIKeyFBHNUWJAKWIYNQ-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.04
Rot. Bonds7

About 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide

2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (PubChem CID 42868332) has the molecular formula C20H27FN4O4 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
PubChem CID42868332
Molecular FormulaC20H27FN4O4
Molecular Weight406.46 g/mol
Exact Mass406.20
IUPAC Name2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide
SMILESCC(C(=O)NCCCN1CCOCC1)N1C(=O)CC(c2ccc(F)cc2)NC1=O
InChIInChI=1S/C20H27FN4O4/c1-14(19(27)22-7-2-8-24-9-11-29-12-10-24)25-18(26)13-17(23-20(25)28)15-3-5-16(21)6-4-15/h3-6,14,17H,2,7-13H2,1H3,(H,22,27)(H,23,28)
InChIKeyFBHNUWJAKWIYNQ-UHFFFAOYSA-N
XLogP1.04
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(furan-2-ylmethyl)butanamide
CID 42851579
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
1-[(1S)-1-(2,4-difluorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 99638302
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
2-(4-chloro-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)propanamide
CID 6492936
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide
CID 61148304
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
2-amino-5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 126595681

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide (CID 42868332) is 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is CC(C(=O)NCCCN1CCOCC1)N1C(=O)CC(c2ccc(F)cc2)NC1=O.
What is the InChIKey of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
The InChIKey is FBHNUWJAKWIYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O4/c1-14(19(27)22-7-2-8-24-9-11-29-12-10-24)25-18(26)13-17(23-20(25)28)15-3-5-16(21)6-4-15/h3-6,14,17H,2,7-13H2,1H3,(H,22,27)(H,23,28).
What are the key properties of 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide?
2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide has a molecular weight of 406.46 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-2,6-dioxo-1,3-diazinan-1-yl]-N-(3-morpholin-4-ylpropyl)propanamide is sourced from PubChem (CID 42868332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).