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

C21H30N4O4 — CID 171564361

IUPAC1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)CC1C(=O)N2CC(=O)N(CC3CCNCC3)CC2N1C(=O)c1ccco1
InChIInChI=1S/C21H30N4O4/c1-14(2)10-16-20(27)24-13-19(26)23(11-15-5-7-22-8-6-15)12-18(24)25(16)21(28)17-4-3-9-29-17/h3-4,9,14-16,18,22H,5-8,10-13H2,1-2H3
InChIKeyQGCLERBCGSTWSR-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.15
Rot. Bonds5

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

1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione (PubChem CID 171564361) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
PubChem CID171564361
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC Name1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
SMILESCC(C)CC1C(=O)N2CC(=O)N(CC3CCNCC3)CC2N1C(=O)c1ccco1
InChIInChI=1S/C21H30N4O4/c1-14(2)10-16-20(27)24-13-19(26)23(11-15-5-7-22-8-6-15)12-18(24)25(16)21(28)17-4-3-9-29-17/h3-4,9,14-16,18,22H,5-8,10-13H2,1-2H3
InChIKeyQGCLERBCGSTWSR-UHFFFAOYSA-N
XLogP1.15
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,5S)-1-(furan-2-carbonyl)-2,5-bis(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564315
(4S)-11-(furan-2-carbonyl)-7-methoxy-4-(2-methylpropyl)-2-(piperidin-4-ylmethyl)-4,11a-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione
CID 146177268
N-[(3S,7R)-1-(furan-2-carbonyl)-8-methylidene-7-(2-methylpropyl)-4-oxo-9-(piperidin-4-ylmethyl)-2,3,6,7,10,10a-hexahydropyrimido[1,2-a][1,4]diazepin-3-yl]-3-methylbutanamide
CID 159947104
8-(2-aminoethyl)-1-(furan-2-carbonyl)-3-(2-methylpropylamino)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-4,7-dione;propane
CID 153352431
butane;2-methylpropane;1-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564355
1-(6-aminopyridine-3-carbonyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione
CID 171564325
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320
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
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 78789973
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The IUPAC name of 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) is 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione.
What is the SMILES notation for 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The canonical SMILES for 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is CC(C)CC1C(=O)N2CC(=O)N(CC3CCNCC3)CC2N1C(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
The InChIKey is QGCLERBCGSTWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-14(2)10-16-20(27)24-13-19(26)23(11-15-5-7-22-8-6-15)12-18(24)25(16)21(28)17-4-3-9-29-17/h3-4,9,14-16,18,22H,5-8,10-13H2,1-2H3.
What are the key properties of 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione?
1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione has a molecular weight of 402.50 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-2-(2-methylpropyl)-7-(piperidin-4-ylmethyl)-2,5,8,8a-tetrahydroimidazo[1,2-a]pyrazine-3,6-dione is sourced from PubChem (CID 171564361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).