3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one

C18H28N4O — CID 139525638

IUPAC3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)CC2CC2C3N)c(=O)[nH]1
InChIInChI=1S/C18H28N4O/c1-17(2,3)13-10-20-15(16(23)21-13)22-6-4-18(5-7-22)9-11-8-12(11)14(18)19/h10-12,14H,4-9,19H2,1-3H3,(H,21,23)
InChIKeyQWEHLKSHBCITPF-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.02
Rot. Bonds1

About 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one

3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one (PubChem CID 139525638) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one
PubChem CID139525638
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one
SMILESCC(C)(C)c1cnc(N2CCC3(CC2)CC2CC2C3N)c(=O)[nH]1
InChIInChI=1S/C18H28N4O/c1-17(2,3)13-10-20-15(16(23)21-13)22-6-4-18(5-7-22)9-11-8-12(11)14(18)19/h10-12,14H,4-9,19H2,1-3H3,(H,21,23)
InChIKeyQWEHLKSHBCITPF-UHFFFAOYSA-N
XLogP2.02
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-(2,3-dichlorophenyl)sulfanyl-1-methylpyrazin-2-one
CID 139509539
3-[(2R,4R)-4-amino-2-methyl-8-azaspiro[4.5]decan-8-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 166582781
3-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 139525640
6-ethyl-3-[(3S)-3-methyl-8-azaspiro[4.5]decan-8-yl]-1H-pyrazin-2-one
CID 156711747
3-[4-amino-4-(fluoromethyl)piperidin-1-yl]-6-(2-methylpropyl)-1H-pyrazin-2-one
CID 156711759
3-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-[(3-fluoro-1H-indol-4-yl)sulfanyl]-1H-pyrazin-2-one
CID 139509589
3-[(8R)-8-amino-6-oxa-2-azaspiro[3.4]octan-2-yl]-6-propan-2-yl-1H-pyrazin-2-one
CID 167301316
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-propan-2-yl-1H-pyrazin-2-one
CID 139525829
tert-butyl N-[(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;tert-butyl N-[(1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-yl]carbamate;(1S)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;bis((1S,2R)-1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine);1'-[7-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-5H-pyrrolo[3,4-b]pyrazin-3-yl]spiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-2-amine;methyl thiohypofluorite
CID 167576489
ethane;6-ethyl-3-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrazin-2-one
CID 156711718
2-(5-tert-butyl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 116878954
3-[4-(aminomethyl)-4-methylpiperidin-1-yl]-6-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazin-2-one
CID 139509490

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one?
The IUPAC name of 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one (CID 139525638) is 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one?
The canonical SMILES for 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one is CC(C)(C)c1cnc(N2CCC3(CC2)CC2CC2C3N)c(=O)[nH]1.
What is the InChIKey of 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one?
The InChIKey is QWEHLKSHBCITPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-17(2,3)13-10-20-15(16(23)21-13)22-6-4-18(5-7-22)9-11-8-12(11)14(18)19/h10-12,14H,4-9,19H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one?
3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one has a molecular weight of 316.45 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminospiro[bicyclo[3.1.0]hexane-3,4'-piperidine]-1'-yl)-6-tert-butyl-1H-pyrazin-2-one is sourced from PubChem (CID 139525638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).