(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione

C28H37FN4O2 — CID 42440531

IUPAC(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(CCc3ccccc3)CC2)C1=O
InChIInChI=1S/C28H37FN4O2/c1-31(2)16-6-17-33-26(34)28(30-27(33)35,21-23-9-11-25(29)12-10-23)24-14-19-32(20-15-24)18-13-22-7-4-3-5-8-22/h3-5,7-12,24H,6,13-21H2,1-2H3,(H,30,35)/t28-/m1/s1
InChIKeyXFHBHYJAYURGNN-MUUNZHRXSA-N
MW480.63 g/mol
LogP3.57
Rot. Bonds10

About (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione

(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42440531) has the molecular formula C28H37FN4O2 and a molecular weight of 480.63 g/mol. Its IUPAC name is (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42440531
Molecular FormulaC28H37FN4O2
Molecular Weight480.63 g/mol
Exact Mass480.29
IUPAC Name(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCN(C)CCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(CCc3ccccc3)CC2)C1=O
InChIInChI=1S/C28H37FN4O2/c1-31(2)16-6-17-33-26(34)28(30-27(33)35,21-23-9-11-25(29)12-10-23)24-14-19-32(20-15-24)18-13-22-7-4-3-5-8-22/h3-5,7-12,24H,6,13-21H2,1-2H3,(H,30,35)/t28-/m1/s1
InChIKeyXFHBHYJAYURGNN-MUUNZHRXSA-N
XLogP3.57
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.57
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-[1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 26276690
(5S)-5-(1-but-2-ynoylpiperidin-4-yl)-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 26327120
5-[1-(2-cyclopentylacetyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 118756982
(5R)-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]-5-[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42275547
(5R)-5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 26356509
(5R)-3-[2-(dimethylamino)ethyl]-5-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42465176
(5S)-3-[2-(dimethylamino)ethyl]-5-[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42383095
(5S)-5-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3-[2-(dimethylamino)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 42406087
3-[2-(dimethylamino)ethyl]-5-[1-(3-methylbutanoyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 118756780
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 42342271
5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 45168143
(5R)-5-benzyl-5-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 42212185

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42440531) is (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione is CN(C)CCCN1C(=O)N[C@](Cc2ccc(F)cc2)(C2CCN(CCc3ccccc3)CC2)C1=O.
What is the InChIKey of (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is XFHBHYJAYURGNN-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H37FN4O2/c1-31(2)16-6-17-33-26(34)28(30-27(33)35,21-23-9-11-25(29)12-10-23)24-14-19-32(20-15-24)18-13-22-7-4-3-5-8-22/h3-5,7-12,24H,6,13-21H2,1-2H3,(H,30,35)/t28-/m1/s1.
What are the key properties of (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 480.63 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-(dimethylamino)propyl]-5-[(4-fluorophenyl)methyl]-5-[1-(2-phenylethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42440531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).