(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one

C31H42N4O2 — CID 72712373

IUPAC(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C31H42N4O2/c36-31-34(28-9-5-2-6-10-28)24-30(26-7-3-1-4-8-26)35(31)29-15-17-32(18-16-29)23-25-11-13-27(14-12-25)33-19-21-37-22-20-33/h1,3-4,7-8,11-14,28-30H,2,5-6,9-10,15-24H2/t30-/m0/s1
InChIKeyZAEDOYHNFHFZDK-PMERELPUSA-N
MW502.70 g/mol
LogP5.30
Rot. Bonds6

About (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one

(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 72712373) has the molecular formula C31H42N4O2 and a molecular weight of 502.70 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
PubChem CID72712373
Molecular FormulaC31H42N4O2
Molecular Weight502.70 g/mol
Exact Mass502.33
IUPAC Name(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C31H42N4O2/c36-31-34(28-9-5-2-6-10-28)24-30(26-7-3-1-4-8-26)35(31)29-15-17-32(18-16-29)23-25-11-13-27(14-12-25)33-19-21-37-22-20-33/h1,3-4,7-8,11-14,28-30H,2,5-6,9-10,15-24H2/t30-/m0/s1
InChIKeyZAEDOYHNFHFZDK-PMERELPUSA-N
XLogP5.30
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.70
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-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 (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one (CID 72712373) is (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one is O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is ZAEDOYHNFHFZDK-PMERELPUSA-N. The full InChI is InChI=1S/C31H42N4O2/c36-31-34(28-9-5-2-6-10-28)24-30(26-7-3-1-4-8-26)35(31)29-15-17-32(18-16-29)23-25-11-13-27(14-12-25)33-19-21-37-22-20-33/h1,3-4,7-8,11-14,28-30H,2,5-6,9-10,15-24H2/t30-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one?
(4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 502.70 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-3-[1-[(4-morpholin-4-ylphenyl)methyl]piperidin-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 72712373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).