1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione

C18H28N2O3 — CID 4731068

IUPAC1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC1CCN(C(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CC1
InChIInChI=1S/C18H28N2O3/c1-12-5-7-20(8-6-12)15(23)18(4)10-16(2)9-17(3,11-18)14(22)19-13(16)21/h12H,5-11H2,1-4H3,(H,19,21,22)
InChIKeyKMFBXNRCISPTLW-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.10
Rot. Bonds1

About 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione

1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (PubChem CID 4731068) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.

Molecular Properties

Compound Name1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
PubChem CID4731068
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione
SMILESCC1CCN(C(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CC1
InChIInChI=1S/C18H28N2O3/c1-12-5-7-20(8-6-12)15(23)18(4)10-16(2)9-17(3,11-18)14(22)19-13(16)21/h12H,5-11H2,1-4H3,(H,19,21,22)
InChIKeyKMFBXNRCISPTLW-UHFFFAOYSA-N
XLogP2.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The IUPAC name of 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione (CID 4731068) is 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione.
What is the SMILES notation for 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The canonical SMILES for 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is CC1CCN(C(=O)C2(C)CC3(C)CC(C)(C2)C(=O)NC3=O)CC1.
What is the InChIKey of 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
The InChIKey is KMFBXNRCISPTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12-5-7-20(8-6-12)15(23)18(4)10-16(2)9-17(3,11-18)14(22)19-13(16)21/h12H,5-11H2,1-4H3,(H,19,21,22).
What are the key properties of 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione?
1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione has a molecular weight of 320.43 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,7-trimethyl-7-(4-methylpiperidine-1-carbonyl)-3-azabicyclo[3.3.1]nonane-2,4-dione is sourced from PubChem (CID 4731068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).