N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

C18H24N4O — CID 172825173

IUPACN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESCN1C(C)(C)CC(NC(=O)C2=NN=C3C2=CC2=C3C2)CC1(C)C
InChIInChI=1S/C18H24N4O/c1-17(2)8-11(9-18(3,4)22(17)5)19-16(23)15-13-7-10-6-12(10)14(13)20-21-15/h7,11H,6,8-9H2,1-5H3,(H,19,23)
InChIKeyUTMJVLPXIOVLCZ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.20
Rot. Bonds2

About N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (PubChem CID 172825173) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
PubChem CID172825173
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide
SMILESCN1C(C)(C)CC(NC(=O)C2=NN=C3C2=CC2=C3C2)CC1(C)C
InChIInChI=1S/C18H24N4O/c1-17(2)8-11(9-18(3,4)22(17)5)19-16(23)15-13-7-10-6-12(10)14(13)20-21-15/h7,11H,6,8-9H2,1-5H3,(H,19,23)
InChIKeyUTMJVLPXIOVLCZ-UHFFFAOYSA-N
XLogP2.20
TPSA57.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The IUPAC name of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide (CID 172825173) is N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is CN1C(C)(C)CC(NC(=O)C2=NN=C3C2=CC2=C3C2)CC1(C)C.
What is the InChIKey of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
The InChIKey is UTMJVLPXIOVLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-17(2)8-11(9-18(3,4)22(17)5)19-16(23)15-13-7-10-6-12(10)14(13)20-21-15/h7,11H,6,8-9H2,1-5H3,(H,19,23).
What are the key properties of N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide?
N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),2(4),5,7-tetraene-7-carboxamide is sourced from PubChem (CID 172825173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).