3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

C17H21N3O3 — CID 32747160

IUPAC3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-4-2-3-9-19(12)16(22)14-7-5-13(6-8-14)11-20-15(21)10-18-17(20)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,23)/t12-/m0/s1
InChIKeyLGCWJKKAVNPFBZ-LBPRGKRZSA-N
MW315.37 g/mol
LogP1.75
Rot. Bonds3

About 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione

3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (PubChem CID 32747160) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
PubChem CID32747160
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
SMILESC[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-12-4-2-3-9-19(12)16(22)14-7-5-13(6-8-14)11-20-15(21)10-18-17(20)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,23)/t12-/m0/s1
InChIKeyLGCWJKKAVNPFBZ-LBPRGKRZSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.75
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

3-[[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 119649146
3-[[4-(3-methylpiperazine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 119576948
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
3-[[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione;hydrochloride
CID 119437149
N-cyclohexyl-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 27670779
3-[[3-[2-(2-hydroxypropyl)azepane-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione
CID 136542268
3-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]imidazolidine-2,4-dione
CID 120819379
[4-(methylamino)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 62170939
[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 2532732
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione (CID 32747160) is 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is C[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CNC2=O)cc1.
What is the InChIKey of 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
The InChIKey is LGCWJKKAVNPFBZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-4-2-3-9-19(12)16(22)14-7-5-13(6-8-14)11-20-15(21)10-18-17(20)23/h5-8,12H,2-4,9-11H2,1H3,(H,18,23)/t12-/m0/s1.
What are the key properties of 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione?
3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 32747160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).