butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

C24H48N4O2 — CID 171564355

IUPACbutane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)C.CC(C)CN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12.CCCC
InChIInChI=1S/C16H28N4O2.2C4H10/c1-12(2)7-18-10-16(22)20-11-15(21)19(9-14(18)20)8-13-3-5-17-6-4-13;1-4(2)3;1-3-4-2/h12-14,17H,3-11H2,1-2H3;4H,1-3H3;3-4H2,1-2H3
InChIKeyGPTMCVXJVPAUAZ-UHFFFAOYSA-N
MW424.67 g/mol
LogP3.42
Rot. Bonds5

About butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione

butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 171564355) has the molecular formula C24H48N4O2 and a molecular weight of 424.67 g/mol. Its IUPAC name is butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Namebutane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
PubChem CID171564355
Molecular FormulaC24H48N4O2
Molecular Weight424.67 g/mol
Exact Mass424.38
IUPAC Namebutane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)C.CC(C)CN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12.CCCC
InChIInChI=1S/C16H28N4O2.2C4H10/c1-12(2)7-18-10-16(22)20-11-15(21)19(9-14(18)20)8-13-3-5-17-6-4-13;1-4(2)3;1-3-4-2/h12-14,17H,3-11H2,1-2H3;4H,1-3H3;3-4H2,1-2H3
InChIKeyGPTMCVXJVPAUAZ-UHFFFAOYSA-N
XLogP3.42
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.67
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564361
1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564325
1-[3,6-dioxo-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazin-1-yl]-3-(1,3-oxazol-2-yl)urea
CID 171564377
1-propyl-4-(pyrrolidin-3-ylmethyl)piperazine-2,5-dione
CID 79942296
1-(fluoromethyl)-8-(2-methylbutyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione
CID 175934305
1-(fluoromethyl)-8-(2-methylbutyl)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;hydrochloride
CID 175934304
2-(2-methylpropyl)-1,4,7,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-3,6-dione
CID 117002748
2-(piperidin-4-ylmethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941253
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320
4-(cyclopropylmethyl)-2-methyl-1,4-diazepan-5-one
CID 146675344
1-(piperidin-4-ylmethyl)pyrrolidin-2-one;dihydrochloride
CID 155973196
5-oxo-4-(piperidin-4-ylmethyl)morpholine-2-carboxylic acid
CID 115102949

Frequently Asked Questions

What is the IUPAC name of butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (CID 171564355) is butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is CC(C)C.CC(C)CN1CC(=O)N2CC(=O)N(CC3CCNCC3)CC12.CCCC.
What is the InChIKey of butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is GPTMCVXJVPAUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.2C4H10/c1-12(2)7-18-10-16(22)20-11-15(21)19(9-14(18)20)8-13-3-5-17-6-4-13;1-4(2)3;1-3-4-2/h12-14,17H,3-11H2,1-2H3;4H,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 424.67 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 171564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).