ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate

C14H20N4O2 — CID 134277515

IUPACethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H20N4O2/c1-2-20-14(19)17-12-5-6-16-13-11(12)4-3-10-9-15-7-8-18(10)13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17,19)/t10-/m1/s1
InChIKeyCNUJPMHMFCJDBA-SNVBAGLBSA-N
MW276.34 g/mol
LogP1.37
Rot. Bonds2

About ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate

ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate (PubChem CID 134277515) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate
PubChem CID134277515
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Nameethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate
SMILESCCOC(=O)Nc1ccnc2c1CC[C@@H]1CNCCN21
InChIInChI=1S/C14H20N4O2/c1-2-20-14(19)17-12-5-6-16-13-11(12)4-3-10-9-15-7-8-18(10)13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17,19)/t10-/m1/s1
InChIKeyCNUJPMHMFCJDBA-SNVBAGLBSA-N
XLogP1.37
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate with MolForge

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Related Compounds

4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265834
4-(2-methylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265733
4-cyclopropyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265639
4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265746
(6aR)-3-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265668
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
1-(4-ethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115975420
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439
1-(7-hydroxyisoquinolin-1-yl)piperazine-2-carboxamide
CID 106540772
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperazine-2-carboxylic acid
CID 97163463
ethyl 1-(5-fluoropyrimidin-2-yl)piperazine-2-carboxylate
CID 113432137
(10R)-6-chloro-4-methylsulfanyl-1,3,5,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 134265666

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate?
The IUPAC name of ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate (CID 134277515) is ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate?
The canonical SMILES for ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate is CCOC(=O)Nc1ccnc2c1CC[C@@H]1CNCCN21.
What is the InChIKey of ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate?
The InChIKey is CNUJPMHMFCJDBA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-20-14(19)17-12-5-6-16-13-11(12)4-3-10-9-15-7-8-18(10)13/h5-6,10,15H,2-4,7-9H2,1H3,(H,16,17,19)/t10-/m1/s1.
What are the key properties of ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate?
ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate is sourced from PubChem (CID 134277515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).