(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

C22H31N3O3 — CID 26276756

IUPAC(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-5-22(20(26)25(14-16(2)3)21(27)23-22)18-10-12-24(13-11-18)15-17-6-8-19(28-4)9-7-17/h6-9,18H,2,5,10-15H2,1,3-4H3,(H,23,27)/t22-/m1/s1
InChIKeyYGBYNVWIYPQBAT-JOCHJYFZSA-N
MW385.51 g/mol
LogP3.18
Rot. Bonds7

About (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 26276756) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID26276756
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O
InChIInChI=1S/C22H31N3O3/c1-5-22(20(26)25(14-16(2)3)21(27)23-22)18-10-12-24(13-11-18)15-17-6-8-19(28-4)9-7-17/h6-9,18H,2,5,10-15H2,1,3-4H3,(H,23,27)/t22-/m1/s1
InChIKeyYGBYNVWIYPQBAT-JOCHJYFZSA-N
XLogP3.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-ethyl-5-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168676
N-[4-[[4-[(4R)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42499230
N-[4-[[4-[(4S)-4-ethyl-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 42499228
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45194299
(5R)-3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42246406
5-[1-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181155
(5R)-5-ethyl-5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168263
(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511
5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 75099053
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181754
(5R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 42238682
5-ethyl-3-(2-methylprop-2-enyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126463818

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 26276756) is (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3ccc(OC)cc3)CC2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is YGBYNVWIYPQBAT-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-5-22(20(26)25(14-16(2)3)21(27)23-22)18-10-12-24(13-11-18)15-17-6-8-19(28-4)9-7-17/h6-9,18H,2,5,10-15H2,1,3-4H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
(5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 385.51 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26276756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).