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

C18H25N3O3 — CID 97090037

IUPAC(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccccc3)C2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(16(22)20(2)17(23)19-18)14-7-6-10-21(13-14)11-12-24-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,23)/t14-,18-/m1/s1
InChIKeyBQHHSAJKVJKIGW-RDTXWAMCSA-N
MW331.42 g/mol
LogP1.72
Rot. Bonds5

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

(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione (PubChem CID 97090037) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
PubChem CID97090037
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
SMILESCN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccccc3)C2)C1=O
InChIInChI=1S/C18H25N3O3/c1-18(16(22)20(2)17(23)19-18)14-7-6-10-21(13-14)11-12-24-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,23)/t14-,18-/m1/s1
InChIKeyBQHHSAJKVJKIGW-RDTXWAMCSA-N
XLogP1.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.72
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-[(3S)-1-[2-(4-methylphenoxy)ethyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 97070496
(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
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
(5S)-5-[(3R)-1-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 129462010
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
5-[1-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927218
(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 97084068
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
(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)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310

Frequently Asked Questions

What is the IUPAC name of (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione (CID 97090037) is (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione is CN1C(=O)N[C@](C)([C@@H]2CCCN(CCOc3ccccc3)C2)C1=O.
What is the InChIKey of (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione?
The InChIKey is BQHHSAJKVJKIGW-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-18(16(22)20(2)17(23)19-18)14-7-6-10-21(13-14)11-12-24-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,19,23)/t14-,18-/m1/s1.
What are the key properties of (5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione?
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione has a molecular weight of 331.42 g/mol, XLogP of 1.72, 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-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 97090037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).