5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C16H26N4O3 — CID 119395261

IUPAC5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C1
InChIInChI=1S/C16H26N4O3/c1-16(12-5-6-12)14(22)20(15(23)18-16)10-13(21)19-7-3-4-11(9-19)8-17-2/h11-12,17H,3-10H2,1-2H3,(H,18,23)
InChIKeyHPPXCXIENPPVEP-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.16
Rot. Bonds5

About 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 119395261) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID119395261
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCNCC1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C1
InChIInChI=1S/C16H26N4O3/c1-16(12-5-6-12)14(22)20(15(23)18-16)10-13(21)19-7-3-4-11(9-19)8-17-2/h11-12,17H,3-10H2,1-2H3,(H,18,23)
InChIKeyHPPXCXIENPPVEP-UHFFFAOYSA-N
XLogP0.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-cyclopropyl-5-methyl-3-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119488225
5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 119395359
5-(4-fluorophenyl)-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119398834
5-cyclopropyl-5-methyl-3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione;hydrochloride
CID 119649000
(5S)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 31640874
(3R)-1-[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 125134505
5-cyclopropyl-3-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119644656
3-[3-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124688347
3-[3-[(3S)-3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 124686592
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119397711
(5S)-5-cyclopropyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 94512474
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 119395261) is 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is CNCC1CCCN(C(=O)CN2C(=O)NC(C)(C3CC3)C2=O)C1.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is HPPXCXIENPPVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(12-5-6-12)14(22)20(15(23)18-16)10-13(21)19-7-3-4-11(9-19)8-17-2/h11-12,17H,3-10H2,1-2H3,(H,18,23).
What are the key properties of 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 322.41 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 119395261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).