4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one

C16H26N2O2 — CID 84588479

IUPAC4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCNC(=O)C2)C2CCCCC12
InChIInChI=1S/C16H26N2O2/c1-11-7-9-18(14-5-3-2-4-13(11)14)16(20)12-6-8-17-15(19)10-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyLTQLBMZLNVEHGQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds1

About 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one

4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one (PubChem CID 84588479) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
PubChem CID84588479
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one
SMILESCC1CCN(C(=O)C2CCNC(=O)C2)C2CCCCC12
InChIInChI=1S/C16H26N2O2/c1-11-7-9-18(14-5-3-2-4-13(11)14)16(20)12-6-8-17-15(19)10-12/h11-14H,2-10H2,1H3,(H,17,19)
InChIKeyLTQLBMZLNVEHGQ-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one?
The IUPAC name of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one (CID 84588479) is 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one.
What is the SMILES notation for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one?
The canonical SMILES for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one is CC1CCN(C(=O)C2CCNC(=O)C2)C2CCCCC12.
What is the InChIKey of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one?
The InChIKey is LTQLBMZLNVEHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-9-18(14-5-3-2-4-13(11)14)16(20)12-6-8-17-15(19)10-12/h11-14H,2-10H2,1H3,(H,17,19).
What are the key properties of 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one?
4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one has a molecular weight of 278.40 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)piperidin-2-one is sourced from PubChem (CID 84588479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).