methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate

C29H37N3O3 — CID 69177833

IUPACmethyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-35-28(33)24-14-12-22(13-15-24)20-30-18-16-26(17-19-30)32-27(23-8-4-2-5-9-23)21-31(29(32)34)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3
InChIKeyYUOHPVOIONIHEW-UHFFFAOYSA-N
MW475.63 g/mol
LogP5.25
Rot. Bonds6

About methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate

methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate (PubChem CID 69177833) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
PubChem CID69177833
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC Namemethyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)CC3c3ccccc3)CC2)cc1
InChIInChI=1S/C29H37N3O3/c1-35-28(33)24-14-12-22(13-15-24)20-30-18-16-26(17-19-30)32-27(23-8-4-2-5-9-23)21-31(29(32)34)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3
InChIKeyYUOHPVOIONIHEW-UHFFFAOYSA-N
XLogP5.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate with MolForge

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Related Compounds

4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
CID 73346388
1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
CID 69494420
4-[[5-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]-4-methylpyrimidin-2-yl]amino]benzoic acid
CID 69494583
4-[[5-[[4-[3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzamide
CID 69493109
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
1-cyclohexyl-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 69034875
4-[3-methyl-4-[[4-[(5R)-3-(oxan-4-yl)-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]benzoic acid
CID 58835085
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
4-[5-[[4-(3-cyclopentyl-2-oxo-5-thiophen-3-ylimidazolidin-1-yl)piperidin-1-yl]methyl]pyrimidin-2-yl]oxybenzoic acid
CID 69494238
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
methyl 4-[[3-[(1,3-dioxoisoindol-2-yl)methyl]piperidin-1-yl]methyl]benzoate
CID 18933367
methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate (CID 69177833) is methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate is COC(=O)c1ccc(CN2CCC(N3C(=O)N(C4CCCCC4)CC3c3ccccc3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate?
The InChIKey is YUOHPVOIONIHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-35-28(33)24-14-12-22(13-15-24)20-30-18-16-26(17-19-30)32-27(23-8-4-2-5-9-23)21-31(29(32)34)25-10-6-3-7-11-25/h2,4-5,8-9,12-15,25-27H,3,6-7,10-11,16-21H2,1H3.
What are the key properties of methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate?
methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate has a molecular weight of 475.63 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 69177833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).