9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one

C19H32F2N4O2 — CID 177152032

IUPAC9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC1NC2C(C3CCC(F)(F)CC3)NC(N3CCOCC3)CN2C(=O)C1C
InChIInChI=1S/C19H32F2N4O2/c1-12-13(2)22-17-16(14-3-5-19(20,21)6-4-14)23-15(11-25(17)18(12)26)24-7-9-27-10-8-24/h12-17,22-23H,3-11H2,1-2H3
InChIKeyDCYGKVANXOMYJJ-UHFFFAOYSA-N
MW386.49 g/mol
LogP1.22
Rot. Bonds2

About 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one

9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one (PubChem CID 177152032) has the molecular formula C19H32F2N4O2 and a molecular weight of 386.49 g/mol. Its IUPAC name is 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one
PubChem CID177152032
Molecular FormulaC19H32F2N4O2
Molecular Weight386.49 g/mol
Exact Mass386.25
IUPAC Name9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one
SMILESCC1NC2C(C3CCC(F)(F)CC3)NC(N3CCOCC3)CN2C(=O)C1C
InChIInChI=1S/C19H32F2N4O2/c1-12-13(2)22-17-16(14-3-5-19(20,21)6-4-14)23-15(11-25(17)18(12)26)24-7-9-27-10-8-24/h12-17,22-23H,3-11H2,1-2H3
InChIKeyDCYGKVANXOMYJJ-UHFFFAOYSA-N
XLogP1.22
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

4-amino-9-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]piperidin-3-yl]-2-methyl-6-(1-methylcyclohexyl)-1,5-diazecane-3-carboxamide
CID 123516058
3,3-diamino-2-(4-cyclohexyl-5-fluoro-1,3-diazinan-2-yl)-N-[4-[4-(oxolan-3-yl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 124025653
4-amino-9-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]piperidin-3-yl]-6-hexan-3-yl-2-methyl-1,5-diazecane-3-carboxamide
CID 134321857
[4-[4-Ethoxy-6-[[3-(trifluoromethyl)cyclohexyl]amino]-1,3,5-triazinan-2-yl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 140573738
3,3-diamino-2-(4-cyclohexyl-5-fluoro-1,3-diazinan-2-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]piperidin-3-yl]propanamide
CID 144642125
N-[4-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-fluoropiperidin-3-yl]-2-(diaminomethyl)-3-[(5-ethyl-2-fluorooctyl)amino]butanamide
CID 163567721
N-[4-[(9aR)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-5-methylpiperidin-3-yl]-2-(diaminomethyl)-3-[(5-ethyl-2-fluorooctyl)amino]butanamide
CID 164009996
5-[2-(6-fluoro-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]-6-methyl-2-piperidin-2-yl-1,3-diazinan-4-one
CID 168118693
1-[(2S)-2-methyl-4-[(6-morpholin-4-ylpiperidin-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 140684647
1-[2-Methyl-4-[(6-morpholin-4-ylpiperidin-3-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]ethanone
CID 144846795
(7S,9aR)-7-(cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 11886372
7-(Cyclohexylmethyl)-2-(morpholine-4-carbonyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 73134614

Frequently Asked Questions

What is the IUPAC name of 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one (CID 177152032) is 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one is CC1NC2C(C3CCC(F)(F)CC3)NC(N3CCOCC3)CN2C(=O)C1C.
What is the InChIKey of 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one?
The InChIKey is DCYGKVANXOMYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32F2N4O2/c1-12-13(2)22-17-16(14-3-5-19(20,21)6-4-14)23-15(11-25(17)18(12)26)24-7-9-27-10-8-24/h12-17,22-23H,3-11H2,1-2H3.
What are the key properties of 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one?
9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one has a molecular weight of 386.49 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-morpholin-4-yl-1,2,3,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 177152032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).