1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione

C13H23N3O2 — CID 70860856

IUPAC1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCCCC(N1CCCCC1)N1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-7-11(15-8-5-4-6-9-15)16-12(17)10-14(2)13(16)18/h11H,3-10H2,1-2H3
InChIKeyMRILZXPOOUMPBO-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.49
Rot. Bonds4

About 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione

1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione (PubChem CID 70860856) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione
PubChem CID70860856
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione
SMILESCCCC(N1CCCCC1)N1C(=O)CN(C)C1=O
InChIInChI=1S/C13H23N3O2/c1-3-7-11(15-8-5-4-6-9-15)16-12(17)10-14(2)13(16)18/h11H,3-10H2,1-2H3
InChIKeyMRILZXPOOUMPBO-UHFFFAOYSA-N
XLogP1.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 18669456
1-methyl-4-pentan-2-ylpiperazin-2-one
CID 130708490
3-[1-(disulfanyl)propyl]-1-methylimidazolidine-2,4-dione
CID 175619867
1-(1-bromobutyl)piperidine
CID 174988490
1-methyl-3-pent-4-en-2-ylimidazolidine-2,4-dione
CID 130635522
1-[(E)-[6-(1-hydroxybutyl)-2,3-dihydrochromen-4-ylidene]amino]-3-[1-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 89040286
2-(azepan-1-yl)pentanoic acid
CID 43866463
1-(1-chlorobutyl)pyrrolidine
CID 157280241
1,3-di(heptan-4-yl)-1,3-diazinane-2,4,6-trione
CID 68636839
1-octan-4-ylazonane
CID 123427772
1,3-dimethyl-1,3-diazepan-2-one
CID 27949
1,3,5-trimethyl-1,3,5-triazepane-2,4,6-trione
CID 139515723

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione (CID 70860856) is 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione is CCCC(N1CCCCC1)N1C(=O)CN(C)C1=O.
What is the InChIKey of 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
The InChIKey is MRILZXPOOUMPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-7-11(15-8-5-4-6-9-15)16-12(17)10-14(2)13(16)18/h11H,3-10H2,1-2H3.
What are the key properties of 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione?
1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione has a molecular weight of 253.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-piperidin-1-ylbutyl)imidazolidine-2,4-dione is sourced from PubChem (CID 70860856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).