3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione

C17H23N3O2 — CID 95176586

IUPAC3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c21-16-13-18-17(22)20(16)12-11-19-9-4-7-15(8-10-19)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,22)/t15-/m1/s1
InChIKeyWRWYPQKDBHMVHE-OAHLLOKOSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds4

About 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 95176586) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID95176586
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1CCN1CCC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C17H23N3O2/c21-16-13-18-17(22)20(16)12-11-19-9-4-7-15(8-10-19)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,22)/t15-/m1/s1
InChIKeyWRWYPQKDBHMVHE-OAHLLOKOSA-N
XLogP1.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dimethyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 56811818
4-[2-(4-phenylpiperidin-1-yl)ethyl]-1,4-benzoxazin-3-one
CID 24803652
5,5-diphenyl-3-[2-(4-phenylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 21481466
3-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 120758501
1-[2-(4-phenylazepan-1-yl)ethyl]piperidin-4-ol;bis(2,2,2-trifluoroacetic acid)
CID 171321226
3-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 60966909
5-phenyl-3-(2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 84572821
2-[5-(4-phenylpiperidin-1-yl)pentyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 19813050
1-(2-chloroethyl)-4-phenylpiperidine
CID 13195407
3-phenyl-1-propylpiperidine
CID 12937946
3-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 81492860
4-phenyl-1-(piperidin-4-ylmethyl)azepane;hydrochloride
CID 119931344

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione (CID 95176586) is 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione is O=C1CNC(=O)N1CCN1CCC[C@@H](c2ccccc2)CC1.
What is the InChIKey of 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is WRWYPQKDBHMVHE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-13-18-17(22)20(16)12-11-19-9-4-7-15(8-10-19)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,18,22)/t15-/m1/s1.
What are the key properties of 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 301.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4R)-4-phenylazepan-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95176586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).