1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C16H26N4O3 — CID 131950105

IUPAC1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCC(CN3CCCC3)CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-8-4-13(5-9-19)10-18-6-2-3-7-18/h13H,2-12H2,1H3
InChIKeyKWLAYTJQYGBHQM-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.21
Rot. Bonds4

About 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 131950105) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID131950105
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCC(CN3CCCC3)CC2)C1=O
InChIInChI=1S/C16H26N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-8-4-13(5-9-19)10-18-6-2-3-7-18/h13H,2-12H2,1H3
InChIKeyKWLAYTJQYGBHQM-UHFFFAOYSA-N
XLogP0.21
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 43355855
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 112779002
(2S)-1-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-2-carboxylic acid
CID 66263121
3-[2-(azepan-1-yl)-2-oxoethyl]-1-cyclopropylimidazolidine-2,4-dione
CID 87022365
3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 66260935
1-methyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 112778988
3-[2-[2-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
CID 119435279
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
9-(cyclohexylmethyl)-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131678839
1-methyl-4-[2-oxo-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-2-one
CID 127979460

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 131950105) is 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)N2CCC(CN3CCCC3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is KWLAYTJQYGBHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-17-11-15(22)20(16(17)23)12-14(21)19-8-4-13(5-9-19)10-18-6-2-3-7-18/h13H,2-12H2,1H3.
What are the key properties of 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-oxo-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 131950105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).