1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C20H36N6O2 — CID 3665151

IUPAC1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CN2CCCCC2)C2C1N(CN1CCCCC1)C(=O)N2CC
InChIInChI=1S/C20H36N6O2/c1-3-23-17-18(26(19(23)27)16-22-13-9-6-10-14-22)24(4-2)20(28)25(17)15-21-11-7-5-8-12-21/h17-18H,3-16H2,1-2H3
InChIKeyKFTJEUNODUHYCU-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.04
Rot. Bonds6

About 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 3665151) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

Compound Name1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
PubChem CID3665151
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC Name1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
SMILESCCN1C(=O)N(CN2CCCCC2)C2C1N(CN1CCCCC1)C(=O)N2CC
InChIInChI=1S/C20H36N6O2/c1-3-23-17-18(26(19(23)27)16-22-13-9-6-10-14-22)24(4-2)20(28)25(17)15-21-11-7-5-8-12-21/h17-18H,3-16H2,1-2H3
InChIKeyKFTJEUNODUHYCU-UHFFFAOYSA-N
XLogP2.04
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The IUPAC name of 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 3665151) is 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.
What is the SMILES notation for 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The canonical SMILES for 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is CCN1C(=O)N(CN2CCCCC2)C2C1N(CN1CCCCC1)C(=O)N2CC.
What is the InChIKey of 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
The InChIKey is KFTJEUNODUHYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O2/c1-3-23-17-18(26(19(23)27)16-22-13-9-6-10-14-22)24(4-2)20(28)25(17)15-21-11-7-5-8-12-21/h17-18H,3-16H2,1-2H3.
What are the key properties of 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?
1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 392.55 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-3,6-bis(piperidin-1-ylmethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 3665151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).