1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one

C26H40N4O4 — CID 153332374

IUPAC1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N3CCCC3=O)ncc2=O)C(C)(C)C1
InChIInChI=1S/C26H40N4O4/c1-19(14-20-8-5-4-6-9-20)24(33)28-13-11-26(34,25(2,3)17-28)18-29-16-21(27-15-23(29)32)30-12-7-10-22(30)31/h15-16,19-20,34H,4-14,17-18H2,1-3H3/t19-,26?/m1/s1
InChIKeyPUYSEXAHXYWKSP-ICCFGIFFSA-N
MW472.63 g/mol
LogP2.97
Rot. Bonds6

About 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one

1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one (PubChem CID 153332374) has the molecular formula C26H40N4O4 and a molecular weight of 472.63 g/mol. Its IUPAC name is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one
PubChem CID153332374
Molecular FormulaC26H40N4O4
Molecular Weight472.63 g/mol
Exact Mass472.30
IUPAC Name1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one
SMILESC[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N3CCCC3=O)ncc2=O)C(C)(C)C1
InChIInChI=1S/C26H40N4O4/c1-19(14-20-8-5-4-6-9-20)24(33)28-13-11-26(34,25(2,3)17-28)18-29-16-21(27-15-23(29)32)30-12-7-10-22(30)31/h15-16,19-20,34H,4-14,17-18H2,1-3H3/t19-,26?/m1/s1
InChIKeyPUYSEXAHXYWKSP-ICCFGIFFSA-N
XLogP2.97
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one (CID 153332374) is 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one is C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(N3CCCC3=O)ncc2=O)C(C)(C)C1.
What is the InChIKey of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one?
The InChIKey is PUYSEXAHXYWKSP-ICCFGIFFSA-N. The full InChI is InChI=1S/C26H40N4O4/c1-19(14-20-8-5-4-6-9-20)24(33)28-13-11-26(34,25(2,3)17-28)18-29-16-21(27-15-23(29)32)30-12-7-10-22(30)31/h15-16,19-20,34H,4-14,17-18H2,1-3H3/t19-,26?/m1/s1.
What are the key properties of 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one?
1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one has a molecular weight of 472.63 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 153332374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).