(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C15H25N3O3 — CID 6601758

IUPAC(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)8-12-14(20)18(15(21)16-12)9-13(19)17-6-4-11(3)5-7-17/h10-12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeySCAOWTCNJUGURP-LBPRGKRZSA-N
MW295.38 g/mol
LogP1.21
Rot. Bonds4

About (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 6601758) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID6601758
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@@H]1NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O
InChIInChI=1S/C15H25N3O3/c1-10(2)8-12-14(20)18(15(21)16-12)9-13(19)17-6-4-11(3)5-7-17/h10-12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1
InChIKeySCAOWTCNJUGURP-LBPRGKRZSA-N
XLogP1.21
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.21
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-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 18089201
(5R)-3-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2090798
(5R)-3-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2704293
N-tert-butyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2604804
3-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 17395940
2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 3643364
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 2635015
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
N-benzyl-N-methyl-2-[(4S)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2704236
(5S)-5-(methoxymethyl)-5-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 95166292

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 6601758) is (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC(C)C[C@@H]1NC(=O)N(CC(=O)N2CCC(C)CC2)C1=O.
What is the InChIKey of (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is SCAOWTCNJUGURP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10(2)8-12-14(20)18(15(21)16-12)9-13(19)17-6-4-11(3)5-7-17/h10-12H,4-9H2,1-3H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 295.38 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 6601758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).