(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione

C19H27N3O3 — CID 97070496

IUPAC(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(OCCN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-6-8-16(9-7-14)25-12-11-22-10-4-5-15(13-22)19(2)17(23)21(3)18(24)20-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyPZAAVZPXOSAWKR-HNAYVOBHSA-N
MW345.44 g/mol
LogP2.03
Rot. Bonds5

About (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione

(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97070496) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97070496
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
SMILESCc1ccc(OCCN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cc1
InChIInChI=1S/C19H27N3O3/c1-14-6-8-16(9-7-14)25-12-11-22-10-4-5-15(13-22)19(2)17(23)21(3)18(24)20-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,24)/t15-,19+/m0/s1
InChIKeyPZAAVZPXOSAWKR-HNAYVOBHSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.03
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

(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(5R)-5-[(3R)-1-(2-cyclopentylethyl)piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217642
(5R)-3,5-dimethyl-5-[(3R)-1-(2-thiophen-2-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090041
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
ethyl 1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylate
CID 6459024
(5R)-5-cyclohexyl-3-[2-(4-ethoxyphenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 7618695
(5S)-5-cyclohexyl-5-methyl-3-[2-(4-propoxyphenoxy)ethyl]imidazolidine-2,4-dione
CID 7619041
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
(5R)-3,5-dimethyl-5-[(3S)-1-[(1-propyltetrazol-5-yl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97099056
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione (CID 97070496) is (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione is Cc1ccc(OCCN2CCC[C@H]([C@@]3(C)NC(=O)N(C)C3=O)C2)cc1.
What is the InChIKey of (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is PZAAVZPXOSAWKR-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-6-8-16(9-7-14)25-12-11-22-10-4-5-15(13-22)19(2)17(23)21(3)18(24)20-19/h6-9,15H,4-5,10-13H2,1-3H3,(H,20,24)/t15-,19+/m0/s1.
What are the key properties of (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 345.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3,5-dimethyl-5-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97070496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).