8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one

C16H27N3O2 — CID 143038825

IUPAC8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCN1CNC(=O)C12CCN([C@@H]1CCCCC1=O)CC2
InChIInChI=1S/C16H27N3O2/c1-2-9-19-12-17-15(21)16(19)7-10-18(11-8-16)13-5-3-4-6-14(13)20/h13H,2-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyCZRJJTNGXYZYLD-CYBMUJFWSA-N
MW293.41 g/mol
LogP1.13
Rot. Bonds3

About 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 143038825) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID143038825
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCCCN1CNC(=O)C12CCN([C@@H]1CCCCC1=O)CC2
InChIInChI=1S/C16H27N3O2/c1-2-9-19-12-17-15(21)16(19)7-10-18(11-8-16)13-5-3-4-6-14(13)20/h13H,2-12H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyCZRJJTNGXYZYLD-CYBMUJFWSA-N
XLogP1.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-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 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 143038825) is 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one is CCCN1CNC(=O)C12CCN([C@@H]1CCCCC1=O)CC2.
What is the InChIKey of 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is CZRJJTNGXYZYLD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-9-19-12-17-15(21)16(19)7-10-18(11-8-16)13-5-3-4-6-14(13)20/h13H,2-12H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 293.41 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1R)-2-oxocyclohexyl]-1-propyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 143038825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).