(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one

C21H31N3O — CID 174555771

IUPAC(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1CN1CCCCC1
InChIInChI=1S/C21H31N3O/c25-21-23(19-12-6-2-7-13-19)16-20(18-10-4-1-5-11-18)24(21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2/t20-/m0/s1
InChIKeyKQYOBQVVDIOVKQ-FQEVSTJZSA-N
MW341.50 g/mol
LogP4.24
Rot. Bonds4

About (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one

(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one (PubChem CID 174555771) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one
PubChem CID174555771
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1CN1CCCCC1
InChIInChI=1S/C21H31N3O/c25-21-23(19-12-6-2-7-13-19)16-20(18-10-4-1-5-11-18)24(21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2/t20-/m0/s1
InChIKeyKQYOBQVVDIOVKQ-FQEVSTJZSA-N
XLogP4.24
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
CID 69034875
methyl 4-[[4-(3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl)piperidin-1-yl]methyl]benzoate
CID 69177833
1-cyclohexyl-3-[1-(imidazo[1,2-a]pyridin-6-ylmethyl)piperidin-4-yl]-4-phenylimidazolidin-2-one
CID 69494420
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
4-[4-[[4-[(5R)-3-cyclohexyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]methyl]phenoxy]-N-methylbenzamide
CID 73346388
(8aR)-N-benzyl-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75537021
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
1-methyl-2-phenylazepane
CID 23447707
(1S,5S,6R)-3-cyclohexyl-1-hydroxy-6-phenyl-3-azabicyclo[3.1.0]hexan-2-one
CID 124631684
3-[1-[[4-(aminomethyl)phenyl]methyl]piperidin-4-yl]-1-(oxan-4-yl)-4-phenylimidazolidin-2-one
CID 69493143
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069

Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one (CID 174555771) is (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one is O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1CN1CCCCC1.
What is the InChIKey of (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one?
The InChIKey is KQYOBQVVDIOVKQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31N3O/c25-21-23(19-12-6-2-7-13-19)16-20(18-10-4-1-5-11-18)24(21)17-22-14-8-3-9-15-22/h1,4-5,10-11,19-20H,2-3,6-9,12-17H2/t20-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one?
(4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one has a molecular weight of 341.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-phenyl-3-(piperidin-1-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 174555771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).