6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

C16H20N2O — CID 116993299

IUPAC6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=C1Cc2cc(C3CCCCN3)cc3c2N1CCC3
InChIInChI=1S/C16H20N2O/c19-15-10-13-9-12(14-5-1-2-6-17-14)8-11-4-3-7-18(15)16(11)13/h8-9,14,17H,1-7,10H2
InChIKeyNKUVZAJERZZFDX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.34
Rot. Bonds1

About 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (PubChem CID 116993299) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.

Molecular Properties

Compound Name6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
PubChem CID116993299
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
SMILESO=C1Cc2cc(C3CCCCN3)cc3c2N1CCC3
InChIInChI=1S/C16H20N2O/c19-15-10-13-9-12(14-5-1-2-6-17-14)8-11-4-3-7-18(15)16(11)13/h8-9,14,17H,1-7,10H2
InChIKeyNKUVZAJERZZFDX-UHFFFAOYSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one with MolForge

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Related Compounds

6-pyrrolidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 116993513
6-(4-aminophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993305
6-(2-oxopropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993333
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
methyl 2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxylate
CID 116993329
N-(2-methylcyclohexyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 22584708
N-[(1S,2S)-2-methylcyclohexyl]-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7287036
1-methyl-7-piperidin-2-yl-3,4-dihydroquinolin-2-one
CID 117363068
7-methoxy-5-piperidin-2-yl-1,3-dihydroindol-2-one
CID 82622809
N,N-diethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384283
3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526524
6-[3-(trifluoromethyl)phenyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 166272856

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The IUPAC name of 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one (CID 116993299) is 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one.
What is the SMILES notation for 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The canonical SMILES for 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is O=C1Cc2cc(C3CCCCN3)cc3c2N1CCC3.
What is the InChIKey of 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
The InChIKey is NKUVZAJERZZFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c19-15-10-13-9-12(14-5-1-2-6-17-14)8-11-4-3-7-18(15)16(11)13/h8-9,14,17H,1-7,10H2.
What are the key properties of 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one?
6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one has a molecular weight of 256.35 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-2-yl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one is sourced from PubChem (CID 116993299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).