3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

C17H22N4O3 — CID 124614078

IUPAC3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@@H](C)N1
InChIInChI=1S/C17H22N4O3/c1-11-8-20(9-12(2)19-11)16(23)14-5-3-4-13(6-14)10-21-15(22)7-18-17(21)24/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,24)/t11-,12-/m1/s1
InChIKeyUWELTGMLORMMDR-VXGBXAGGSA-N
MW330.39 g/mol
LogP0.56
Rot. Bonds3

About 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 124614078) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID124614078
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@@H](C)N1
InChIInChI=1S/C17H22N4O3/c1-11-8-20(9-12(2)19-11)16(23)14-5-3-4-13(6-14)10-21-15(22)7-18-17(21)24/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,24)/t11-,12-/m1/s1
InChIKeyUWELTGMLORMMDR-VXGBXAGGSA-N
XLogP0.56
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
(3,5-dimethylpiperazin-1-yl)-[3-(morpholin-4-ylmethyl)phenyl]methanone;dihydrochloride
CID 122147940
N-[[(3S)-1-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 52519272
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 136542268
3-[[3-(2-phenylpyrrolidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 47019593
(2R)-2-[[3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoyl]amino]propanoic acid
CID 119370008
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
(5-methyl-2-oxooxolan-3-yl) 3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzoate
CID 167832425
3-(3,5-dimethylpiperazine-1-carbonyl)benzamide;hydrochloride
CID 119564571
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
N-(cyclobutylmethyl)-3-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 33381394

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (CID 124614078) is 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is C[C@@H]1CN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C[C@@H](C)N1.
What is the InChIKey of 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is UWELTGMLORMMDR-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-8-20(9-12(2)19-11)16(23)14-5-3-4-13(6-14)10-21-15(22)7-18-17(21)24/h3-6,11-12,19H,7-10H2,1-2H3,(H,18,24)/t11-,12-/m1/s1.
What are the key properties of 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124614078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).