N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

C22H25FN4O5 — CID 54679987

IUPACN-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCCCC1=O)c(O)c2=O
InChIInChI=1S/C22H25FN4O5/c1-22(2)21-25-17(18(29)20(31)27(21)9-10-32-22)19(30)24-12-13-6-7-14(23)11-15(13)26-8-4-3-5-16(26)28/h6-7,11,29H,3-5,8-10,12H2,1-2H3,(H,24,30)
InChIKeyMWXPELHYKUPTBS-UHFFFAOYSA-N
MW444.46 g/mol
LogP1.80
Rot. Bonds4

About N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide

N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 54679987) has the molecular formula C22H25FN4O5 and a molecular weight of 444.46 g/mol. Its IUPAC name is N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID54679987
Molecular FormulaC22H25FN4O5
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC NameN-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
SMILESCC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCCCC1=O)c(O)c2=O
InChIInChI=1S/C22H25FN4O5/c1-22(2)21-25-17(18(29)20(31)27(21)9-10-32-22)19(30)24-12-13-6-7-14(23)11-15(13)26-8-4-3-5-16(26)28/h6-7,11,29H,3-5,8-10,12H2,1-2H3,(H,24,30)
InChIKeyMWXPELHYKUPTBS-UHFFFAOYSA-N
XLogP1.80
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-9-morpholino-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-2-carboxamide
CID 54682263
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54677935
N-[(4-fluoro-2-morpholino-phenyl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54679993
N-[[2-(1,1-dioxothiazinan-2-yl)-4-fluoro-phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54680000
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholino-2-oxo-ethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684193
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholinoethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54686312
N-(4-fluorobenzyl)-3-hydroxy-7,9-dimorpholino-4-oxo-4H-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54729432
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-(morpholinomethyl)-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730635
N-[[2-(1,1-dioxothiazinan-2-yl)-4-fluorophenyl]methyl]-5-hydroxy-1-methyl-2-(oxan-4-yl)-6-oxopyrimidine-4-carboxamide
CID 54748222
N-[(4-fluorophenyl)methyl]-3-hydroxy-9-methoxy-7-morpholino-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 54730373
N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(2-morpholin-2-ylethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54728248
9-(1-ethyl-3-morpholino-2,3-dioxo-propyl)-N-[(4-fluorophenyl)methyl]-3-hydroxy-4-oxo-pyrido[1,2-a]pyrimidine-2-carboxamide
CID 71593512

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide (CID 54679987) is N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1N1CCCCC1=O)c(O)c2=O.
What is the InChIKey of N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is MWXPELHYKUPTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O5/c1-22(2)21-25-17(18(29)20(31)27(21)9-10-32-22)19(30)24-12-13-6-7-14(23)11-15(13)26-8-4-3-5-16(26)28/h6-7,11,29H,3-5,8-10,12H2,1-2H3,(H,24,30).
What are the key properties of N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide?
N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 444.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(2-oxopiperidin-1-yl)phenyl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 54679987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).