(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

C15H27N3O2 — CID 98433677

IUPAC(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC[C@H]1CCCCN1CN1C(=O)N[C@H](CC(C)C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-12-7-5-6-8-17(12)10-18-14(19)13(9-11(2)3)16-15(18)20/h11-13H,4-10H2,1-3H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyAKXJCJLRDWDYDW-QWHCGFSZSA-N
MW281.40 g/mol
LogP2.17
Rot. Bonds5

About (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione

(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (PubChem CID 98433677) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
PubChem CID98433677
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
SMILESCC[C@H]1CCCCN1CN1C(=O)N[C@H](CC(C)C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-12-7-5-6-8-17(12)10-18-14(19)13(9-11(2)3)16-15(18)20/h11-13H,4-10H2,1-3H3,(H,16,20)/t12-,13+/m0/s1
InChIKeyAKXJCJLRDWDYDW-QWHCGFSZSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione with MolForge

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Related Compounds

(5S)-3-[[cyclohexyl(methyl)amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 41411898
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
N-cyclohexyl-N-methyl-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4520677
3-(2-ethylazepan-1-yl)-2-methylpropanal
CID 112545832
(5S)-3-[(4-chlorophenyl)methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2604902
1,2-diethylpiperidine
CID 19604037
3-cyclobutyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 115927918
(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 6601758
2-[(2-ethylpiperidin-1-yl)methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106254
1-cyclohexyl-3-(2-methylpropyl)-1,4-diazepane-2,5-dione
CID 64958879
2-methyl-3-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]propanethioamide
CID 82149112
3-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 17409217

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione (CID 98433677) is (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is CC[C@H]1CCCCN1CN1C(=O)N[C@H](CC(C)C)C1=O.
What is the InChIKey of (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
The InChIKey is AKXJCJLRDWDYDW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-12-7-5-6-8-17(12)10-18-14(19)13(9-11(2)3)16-15(18)20/h11-13H,4-10H2,1-3H3,(H,16,20)/t12-,13+/m0/s1.
What are the key properties of (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione?
(5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-(2-methylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 98433677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).