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

C16H20N4O3 — CID 124571337

IUPAC(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESC[C@H]1CNCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N4O3/c1-10-9-17-7-8-20(10)13(21)11-3-5-12(6-4-11)16(2)14(22)18-15(23)19-16/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,22,23)/t10-,16-/m0/s1
InChIKeyROEOAXGZOSSNLV-QFYYESIMSA-N
MW316.36 g/mol
LogP0.18
Rot. Bonds2

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

(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (PubChem CID 124571337) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
PubChem CID124571337
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione
SMILESC[C@H]1CNCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1
InChIInChI=1S/C16H20N4O3/c1-10-9-17-7-8-20(10)13(21)11-3-5-12(6-4-11)16(2)14(22)18-15(23)19-16/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,22,23)/t10-,16-/m0/s1
InChIKeyROEOAXGZOSSNLV-QFYYESIMSA-N
XLogP0.18
TPSA90.54 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 ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(4-iodophenyl)-(2-methylpiperazin-1-yl)methanone
CID 62671877
(4-tert-butylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62673639
(4-chlorophenyl)-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472310
(4-tert-butylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705106
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
[4-(dimethylamino)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 50999638
(4-ethylphenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705638
(2-methylpiperazin-1-yl)-(4-phenylphenyl)methanone
CID 69401759
5-[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119597029
(2-methylpiperazin-1-yl)-[4-(tetrazol-1-yl)phenyl]methanone
CID 62673813
(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124593322

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione (CID 124571337) is (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is C[C@H]1CNCCN1C(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1.
What is the InChIKey of (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is ROEOAXGZOSSNLV-QFYYESIMSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-9-17-7-8-20(10)13(21)11-3-5-12(6-4-11)16(2)14(22)18-15(23)19-16/h3-6,10,17H,7-9H2,1-2H3,(H2,18,19,22,23)/t10-,16-/m0/s1.
What are the key properties of (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione?
(5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 316.36 g/mol, XLogP of 0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-5-[4-[(2S)-2-methylpiperazine-1-carbonyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124571337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).