1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

C19H26N4O4 — CID 72913392

IUPAC1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H26N4O4/c1-21(2)8-13-7-14(12-24)10-22(9-13)18(26)15-3-5-16(6-4-15)23-11-17(25)20-19(23)27/h3-6,13-14,24H,7-12H2,1-2H3,(H,20,25,27)/t13-,14+/m1/s1
InChIKeyDIOXFXGNUWDETK-KGLIPLIRSA-N
MW374.44 g/mol
LogP0.38
Rot. Bonds5

About 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione

1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 72913392) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID72913392
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESCN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1
InChIInChI=1S/C19H26N4O4/c1-21(2)8-13-7-14(12-24)10-22(9-13)18(26)15-3-5-16(6-4-15)23-11-17(25)20-19(23)27/h3-6,13-14,24H,7-12H2,1-2H3,(H,20,25,27)/t13-,14+/m1/s1
InChIKeyDIOXFXGNUWDETK-KGLIPLIRSA-N
XLogP0.38
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[4-(1,3-oxazol-5-yl)phenyl]methanone
CID 72864460
1-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]imidazolidine-2,4-dione
CID 72908605
1-[4-[3-[(3-fluoro-4-methylphenyl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 166624366
1-[4-[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]phenyl]imidazolidine-2,4-dione
CID 164688436
1-[4-[(3S)-3-phenylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 97141855
1-[4-[(3S,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 135117926
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 72871834
tert-butyl N-[[1-[4-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperidin-4-yl]methyl]-N-methylcarbamate
CID 164941791
1-[4-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 72895809
N-[(3aR,6aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-(2,4-dioxoimidazolidin-1-yl)-N-methylbenzamide
CID 162635550
(3R)-1-[4-(2,4-dioxoimidazolidin-1-yl)benzoyl]-3-propylpiperidine-3-carboxylic acid
CID 97119960
1-[4-[(2S)-2-butyl-2,5-dihydropyrrole-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95221192

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 72913392) is 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is CN(C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(N3CC(=O)NC3=O)cc2)C1.
What is the InChIKey of 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is DIOXFXGNUWDETK-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-21(2)8-13-7-14(12-24)10-22(9-13)18(26)15-3-5-16(6-4-15)23-11-17(25)20-19(23)27/h3-6,13-14,24H,7-12H2,1-2H3,(H,20,25,27)/t13-,14+/m1/s1.
What are the key properties of 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 374.44 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 72913392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).