(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C18H22N4O4 — CID 97118518

IUPAC(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2=O)c1
InChIInChI=1S/C18H22N4O4/c1-12-3-2-4-13(9-12)10-21-7-8-22(11-16(21)24)15(23)6-5-14-17(25)20-18(26)19-14/h2-4,9,14H,5-8,10-11H2,1H3,(H2,19,20,25,26)/t14-/m1/s1
InChIKeyKRGLUEVQDKGRIR-CQSZACIVSA-N
MW358.40 g/mol
LogP0.15
Rot. Bonds5

About (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 97118518) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID97118518
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc(CN2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2=O)c1
InChIInChI=1S/C18H22N4O4/c1-12-3-2-4-13(9-12)10-21-7-8-22(11-16(21)24)15(23)6-5-14-17(25)20-18(26)19-14/h2-4,9,14H,5-8,10-11H2,1H3,(H2,19,20,25,26)/t14-/m1/s1
InChIKeyKRGLUEVQDKGRIR-CQSZACIVSA-N
XLogP0.15
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methyl]-4-[3-[(3R)-1-methylpiperidin-3-yl]propanoyl]piperazin-2-one
CID 95142391
4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70782108
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 97119685
2-[5-[2-[(4S)-2,5-dioxoimidazolidin-4-yl]ethyl]-1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 131951277
6-hydroxy-4-[(3-methylphenyl)methyl]-3-oxo-1,4-diazepane-1-carboxylic acid
CID 122540010
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
(5R)-5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 25355650
5-[3-(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 166935683
4-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70781755
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92561275

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 97118518) is (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cccc(CN2CCN(C(=O)CC[C@H]3NC(=O)NC3=O)CC2=O)c1.
What is the InChIKey of (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is KRGLUEVQDKGRIR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-12-3-2-4-13(9-12)10-21-7-8-22(11-16(21)24)15(23)6-5-14-17(25)20-18(26)19-14/h2-4,9,14H,5-8,10-11H2,1H3,(H2,19,20,25,26)/t14-/m1/s1.
What are the key properties of (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 358.40 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97118518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).