(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

C25H38N4O4 — CID 171564315

IUPAC(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
SMILESCC(C)C[C@@H]1C(=O)N2C(CN(CC3CCNCC3)C(=O)[C@@H]2CC(C)C)N1C(=O)c1ccco1
InChIInChI=1S/C25H38N4O4/c1-16(2)12-19-23(30)27(14-18-7-9-26-10-8-18)15-22-28(19)24(31)20(13-17(3)4)29(22)25(32)21-6-5-11-33-21/h5-6,11,16-20,22,26H,7-10,12-15H2,1-4H3/t19-,20+,22?/m0/s1
InChIKeyQSYZRFCJRJVGRB-RJKSWSIASA-N
MW458.60 g/mol
LogP2.56
Rot. Bonds7

About (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

(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 (PubChem CID 171564315) has the molecular formula C25H38N4O4 and a molecular weight of 458.60 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID171564315
Molecular FormulaC25H38N4O4
Molecular Weight458.60 g/mol
Exact Mass458.29
IUPAC Name(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
SMILESCC(C)C[C@@H]1C(=O)N2C(CN(CC3CCNCC3)C(=O)[C@@H]2CC(C)C)N1C(=O)c1ccco1
InChIInChI=1S/C25H38N4O4/c1-16(2)12-19-23(30)27(14-18-7-9-26-10-8-18)15-22-28(19)24(31)20(13-17(3)4)29(22)25(32)21-6-5-11-33-21/h5-6,11,16-20,22,26H,7-10,12-15H2,1-4H3/t19-,20+,22?/m0/s1
InChIKeyQSYZRFCJRJVGRB-RJKSWSIASA-N
XLogP2.56
TPSA86.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.60
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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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
(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
furan-2-yl-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 82243423
3,6-bis(2-methylpropyl)-4,7-dioxo-8-piperidin-4-yl-9,9a-dihydro-6H-pyrazino[2,1-c][1,2,4]oxadiazine-1-carboxylic acid
CID 170355884
(2,6-dimethylpiperazin-1-yl)-(furan-2-yl)methanone
CID 63911769
3-(2-methylpropyl)-4-(piperidin-4-ylmethyl)piperazin-2-one
CID 120849320
piperidin-4-ylmethyl furan-2-carboxylate
CID 53410145
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984
[7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-(furan-2-yl)methanone
CID 131656186
N-[3-methyl-1-oxo-1-(piperidin-4-ylamino)butan-2-yl]furan-2-carboxamide;hydrochloride
CID 119390043
furan-2-yl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185227

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)C[C@@H]1C(=O)N2C(CN(CC3CCNCC3)C(=O)[C@@H]2CC(C)C)N1C(=O)c1ccco1.
What is the InChIKey of (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?
The InChIKey is QSYZRFCJRJVGRB-RJKSWSIASA-N. The full InChI is InChI=1S/C25H38N4O4/c1-16(2)12-19-23(30)27(14-18-7-9-26-10-8-18)15-22-28(19)24(31)20(13-17(3)4)29(22)25(32)21-6-5-11-33-21/h5-6,11,16-20,22,26H,7-10,12-15H2,1-4H3/t19-,20+,22?/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 458.60 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 171564315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).