(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C22H27N3O2S — CID 26282962

IUPAC(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C22H27N3O2S/c1-16-3-5-17(6-4-16)13-24-10-7-19(8-11-24)22(2)20(26)25(21(27)23-22)14-18-9-12-28-15-18/h3-6,9,12,15,19H,7-8,10-11,13-14H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyODGXKIJKAOYZQX-JOCHJYFZSA-N
MW397.54 g/mol
LogP3.78
Rot. Bonds5

About (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 26282962) has the molecular formula C22H27N3O2S and a molecular weight of 397.54 g/mol. Its IUPAC name is (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID26282962
Molecular FormulaC22H27N3O2S
Molecular Weight397.54 g/mol
Exact Mass397.18
IUPAC Name(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C22H27N3O2S/c1-16-3-5-17(6-4-16)13-24-10-7-19(8-11-24)22(2)20(26)25(21(27)23-22)14-18-9-12-28-15-18/h3-6,9,12,15,19H,7-8,10-11,13-14H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyODGXKIJKAOYZQX-JOCHJYFZSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45178692
(5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42373384
(5S)-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42372566
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45173762
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 126463087
5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45183515
(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42317093
3-ethyl-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75422495
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
5-methyl-5-[1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45180190

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 26282962) is (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is Cc1ccc(CN2CCC([C@@]3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1.
What is the InChIKey of (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is ODGXKIJKAOYZQX-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O2S/c1-16-3-5-17(6-4-16)13-24-10-7-19(8-11-24)22(2)20(26)25(21(27)23-22)14-18-9-12-28-15-18/h3-6,9,12,15,19H,7-8,10-11,13-14H2,1-2H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 397.54 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26282962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).