(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione

C15H27N3O2 — CID 97027345

IUPAC(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C)NC(=O)N(CC[C@H]2CCCCN2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20)/t12-,15+/m1/s1
InChIKeyOPOXHXKECXOTKQ-DOMZBBRYSA-N
MW281.40 g/mol
LogP1.97
Rot. Bonds5

About (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione

(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 97027345) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID97027345
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCC[C@]1(C)NC(=O)N(CC[C@H]2CCCCN2C)C1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20)/t12-,15+/m1/s1
InChIKeyOPOXHXKECXOTKQ-DOMZBBRYSA-N
XLogP1.97
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 ≤ 51.97
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

(5R)-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 26399634
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
N-[4-[4-[(4S)-1-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-2,5-dioxo-4-propylimidazolidin-4-yl]piperidine-1-carbonyl]phenyl]acetamide
CID 42383062
(5R)-5-[1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione
CID 42162688
5-[1-[3-(2-fluorophenyl)prop-2-enoyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 74779848
5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 45239134
5-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
CID 45221618
(5R)-3-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-5-[1-(4-oxo-6,7-dihydro-5H-1-benzofuran-3-carbonyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42454875
3-[2-[2-(2-hydroxyethyl)piperidin-1-yl]ethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 62020103
5-amino-1-methyl-3-[2-(1-methylpiperidin-2-yl)ethyl]pyrimidine-2,4-dione
CID 107912148
(2R)-2-ethyl-1-methylpiperidine
CID 67552955

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione (CID 97027345) is (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione is CCC[C@]1(C)NC(=O)N(CC[C@H]2CCCCN2C)C1=O.
What is the InChIKey of (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is OPOXHXKECXOTKQ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-9-15(2)13(19)18(14(20)16-15)11-8-12-7-5-6-10-17(12)3/h12H,4-11H2,1-3H3,(H,16,20)/t12-,15+/m1/s1.
What are the key properties of (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione?
(5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 97027345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).