5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

C16H30N4O2 — CID 56815218

IUPAC5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC(C)CN1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)12-19-10-8-18(9-11-19)6-5-7-20-14(21)16(3,4)17-15(20)22/h13H,5-12H2,1-4H3,(H,17,22)
InChIKeyDEQVNLDUMPNNRQ-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.98
Rot. Bonds6

About 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione

5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (PubChem CID 56815218) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
PubChem CID56815218
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
SMILESCC(C)CN1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1
InChIInChI=1S/C16H30N4O2/c1-13(2)12-19-10-8-18(9-11-19)6-5-7-20-14(21)16(3,4)17-15(20)22/h13H,5-12H2,1-4H3,(H,17,22)
InChIKeyDEQVNLDUMPNNRQ-UHFFFAOYSA-N
XLogP0.98
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
CID 6501454
Hydantoin, 3,3'-(1,4-piperazinediyldimethylene)bis(5,5-dimethyl-
CID 98587
3-Ethyl-5,5-dimethylimidazolidine-2,4-dione
CID 588189
3-(2-(Diethylamino)ethyl)-5,5-dimethylhydantoin
CID 3028666
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
5,5-Dimethyl-3-[2-(4-methylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 137649325
3-[(4-Methylpiperazin-1-yl)methyl]-5,5-di(propan-2-yl)imidazolidine-2,4-dione
CID 155552750
3-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)propyl-trimethylazanium chloride
CID 155562366
5,5-Dimethyl-3-piperidin-1-ylmethyl-imidazolidine-2,4-dione
CID 694448
8-Isobutyryl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109420

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione (CID 56815218) is 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is CC(C)CN1CCN(CCCN2C(=O)NC(C)(C)C2=O)CC1.
What is the InChIKey of 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
The InChIKey is DEQVNLDUMPNNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-13(2)12-19-10-8-18(9-11-19)6-5-7-20-14(21)16(3,4)17-15(20)22/h13H,5-12H2,1-4H3,(H,17,22).
What are the key properties of 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione?
5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione has a molecular weight of 310.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[3-[4-(2-methylpropyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 56815218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).