(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one

C18H32N4O — CID 118719666

IUPAC(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCNC2)N=C1N
InChIInChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1
InChIKeySBFPKNQJSOXSGJ-CRAIPNDOSA-N
MW320.48 g/mol
LogP2.26
Rot. Bonds5

About (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one

(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one (PubChem CID 118719666) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
PubChem CID118719666
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one
SMILESCN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCNC2)N=C1N
InChIInChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1
InChIKeySBFPKNQJSOXSGJ-CRAIPNDOSA-N
XLogP2.26
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-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 (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one?
The IUPAC name of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one (CID 118719666) is (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one is CN1C(=O)[C@@](CCC2CCCCC2)(C[C@H]2CCCNC2)N=C1N.
What is the InChIKey of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one?
The InChIKey is SBFPKNQJSOXSGJ-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H32N4O/c1-22-16(23)18(21-17(22)19,12-15-8-5-11-20-13-15)10-9-14-6-3-2-4-7-14/h14-15,20H,2-13H2,1H3,(H2,19,21)/t15-,18-/m1/s1.
What are the key properties of (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one?
(5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one has a molecular weight of 320.48 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-(2-cyclohexylethyl)-3-methyl-5-[[(3R)-piperidin-3-yl]methyl]imidazol-4-one is sourced from PubChem (CID 118719666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).