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

C17H21N3O3 — CID 95971979

IUPAC(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-11-4-3-9-20(10-11)14(21)12-5-7-13(8-6-12)17(2)15(22)18-16(23)19-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,22,23)/t11-,17+/m1/s1
InChIKeyMEPWRGFINXOQKO-DIFFPNOSSA-N
MW315.37 g/mol
LogP1.61
Rot. Bonds2

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

(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 95971979) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID95971979
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESC[C@@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-11-4-3-9-20(10-11)14(21)12-5-7-13(8-6-12)17(2)15(22)18-16(23)19-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,22,23)/t11-,17+/m1/s1
InChIKeyMEPWRGFINXOQKO-DIFFPNOSSA-N
XLogP1.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124593322
(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124690838
(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124589328
5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 127758807
(2R,3R)-2-methyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-3-carboxylic acid
CID 122115512
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 124571337
(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134495091
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
[(3S)-3-methylpiperidin-1-yl]-(4-nitrophenyl)methanone
CID 40543994

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 95971979) is (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is C[C@@H]1CCCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1.
What is the InChIKey of (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is MEPWRGFINXOQKO-DIFFPNOSSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-4-3-9-20(10-11)14(21)12-5-7-13(8-6-12)17(2)15(22)18-16(23)19-17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,19,22,23)/t11-,17+/m1/s1.
What are the key properties of (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 95971979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).