3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione

C15H28N4O2 — CID 155552750

IUPAC3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)NC(=O)N(CN2CCN(C)CC2)C1=O
InChIInChI=1S/C15H28N4O2/c1-11(2)15(12(3)4)13(20)19(14(21)16-15)10-18-8-6-17(5)7-9-18/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyKWERKYZXSGMSAG-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.79
Rot. Bonds4

About 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione

3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione (PubChem CID 155552750) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione
PubChem CID155552750
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione
SMILESCC(C)C1(C(C)C)NC(=O)N(CN2CCN(C)CC2)C1=O
InChIInChI=1S/C15H28N4O2/c1-11(2)15(12(3)4)13(20)19(14(21)16-15)10-18-8-6-17(5)7-9-18/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyKWERKYZXSGMSAG-UHFFFAOYSA-N
XLogP0.79
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione with MolForge

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Related Compounds

5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
1,3,8-Triazaspiro(4.5)decane-2,4-dione, 8-methyl-
CID 2302260
3-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 4682145
6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 607189
3-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 18931313
5,5-Dimethyl-3-[2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 24982466
(5R)-6,8,9-Trimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 5389126
5-Methyl-5-(piperidin-4-yl)imidazolidine-2,4-dione
CID 56709706
1-Methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione hydrochloride
CID 153517448
3-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 24979519
5,5-Dimethyl-3-(2-piperazin-1-ylethyl)imidazolidine-2,4-dione
CID 43162333
3-Ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 118759421

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione (CID 155552750) is 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione is CC(C)C1(C(C)C)NC(=O)N(CN2CCN(C)CC2)C1=O.
What is the InChIKey of 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
The InChIKey is KWERKYZXSGMSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)15(12(3)4)13(20)19(14(21)16-15)10-18-8-6-17(5)7-9-18/h11-12H,6-10H2,1-5H3,(H,16,21).
What are the key properties of 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione?
3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 155552750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).