5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

C15H20N4O2 — CID 82148872

IUPAC5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC1(c2cccnc2)NC(=O)N(CC2CCCNC2)C1=O
InChIInChI=1S/C15H20N4O2/c1-15(12-5-3-7-17-9-12)13(20)19(14(21)18-15)10-11-4-2-6-16-8-11/h3,5,7,9,11,16H,2,4,6,8,10H2,1H3,(H,18,21)
InChIKeyQXEXIVLBUUQJJS-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.85
Rot. Bonds3

About 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione

5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 82148872) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID82148872
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCC1(c2cccnc2)NC(=O)N(CC2CCCNC2)C1=O
InChIInChI=1S/C15H20N4O2/c1-15(12-5-3-7-17-9-12)13(20)19(14(21)18-15)10-11-4-2-6-16-8-11/h3,5,7,9,11,16H,2,4,6,8,10H2,1H3,(H,18,21)
InChIKeyQXEXIVLBUUQJJS-UHFFFAOYSA-N
XLogP0.85
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.85
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

3-(cyclopropylmethyl)-5-methyl-5-pyridin-4-ylimidazolidine-2,4-dione
CID 110245816
5-methyl-3-[2-oxo-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 136529802
(5R)-3-[(1,1-dioxothian-4-yl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 97247001
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119559360
6,6-dimethyl-3-(piperidin-3-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836309
2-piperidin-3-yl-N-(pyridin-3-ylmethyl)acetamide
CID 62675411
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-piperidin-3-ylacetamide;hydrochloride
CID 119429101
5-(2,4-dimethylphenyl)-5-ethyl-3-(piperidin-3-ylmethyl)imidazolidine-2,4-dione
CID 82148867
3-[[(3R)-piperidin-3-yl]methylsulfonylmethyl]pyridine
CID 97165999
5-methyl-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 154765582
(3S)-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 53256527
N-[[(3R)-piperidin-3-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165901

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione (CID 82148872) is 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is CC1(c2cccnc2)NC(=O)N(CC2CCCNC2)C1=O.
What is the InChIKey of 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is QXEXIVLBUUQJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-15(12-5-3-7-17-9-12)13(20)19(14(21)18-15)10-11-4-2-6-16-8-11/h3,5,7,9,11,16H,2,4,6,8,10H2,1H3,(H,18,21).
What are the key properties of 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione?
5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 288.35 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(piperidin-3-ylmethyl)-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 82148872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).