(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C16H20N4O3 — CID 124593322

IUPAC(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H20N4O3/c1-16(14(22)18-15(23)19-16)11-6-4-10(5-7-11)13(21)20-8-2-3-12(17)9-20/h4-7,12H,2-3,8-9,17H2,1H3,(H2,18,19,22,23)/t12-,16-/m1/s1
InChIKeyACLFFIBCSBMUDL-MLGOLLRUSA-N
MW316.36 g/mol
LogP0.30
Rot. Bonds2

About (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 124593322) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID124593322
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESC[C@]1(c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)NC(=O)NC1=O
InChIInChI=1S/C16H20N4O3/c1-16(14(22)18-15(23)19-16)11-6-4-10(5-7-11)13(21)20-8-2-3-12(17)9-20/h4-7,12H,2-3,8-9,17H2,1H3,(H2,18,19,22,23)/t12-,16-/m1/s1
InChIKeyACLFFIBCSBMUDL-MLGOLLRUSA-N
XLogP0.30
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124589328
(2R,3R)-2-methyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]piperidine-3-carboxylic acid
CID 122115512
(3-aminopiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 75526663
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(3-aminopiperidin-1-yl)-(4-phenylphenyl)methanone;hydrochloride
CID 119381362
(3-aminopiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119381756
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(3-aminopiperidin-1-yl)-(2,3-dihydro-1H-inden-5-yl)methanone
CID 61298118
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 124593322) is (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is C[C@]1(c2ccc(C(=O)N3CCC[C@@H](N)C3)cc2)NC(=O)NC1=O.
What is the InChIKey of (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ACLFFIBCSBMUDL-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-16(14(22)18-15(23)19-16)11-6-4-10(5-7-11)13(21)20-8-2-3-12(17)9-20/h4-7,12H,2-3,8-9,17H2,1H3,(H2,18,19,22,23)/t12-,16-/m1/s1.
What are the key properties of (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 124593322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).