(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one

C20H24N2O3 — CID 99853102

IUPAC(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc(Oc3ccccc3)o2)CN1
InChIInChI=1S/C20H24N2O3/c23-19-12-15(13-21-19)18-8-4-5-11-22(18)14-17-9-10-20(25-17)24-16-6-2-1-3-7-16/h1-3,6-7,9-10,15,18H,4-5,8,11-14H2,(H,21,23)/t15-,18+/m1/s1
InChIKeyKAAQNURZZMGKBH-QAPCUYQASA-N
MW340.42 g/mol
LogP3.56
Rot. Bonds5

About (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one

(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one (PubChem CID 99853102) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
PubChem CID99853102
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
SMILESO=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc(Oc3ccccc3)o2)CN1
InChIInChI=1S/C20H24N2O3/c23-19-12-15(13-21-19)18-8-4-5-11-22(18)14-17-9-10-20(25-17)24-16-6-2-1-3-7-16/h1-3,6-7,9-10,15,18H,4-5,8,11-14H2,(H,21,23)/t15-,18+/m1/s1
InChIKeyKAAQNURZZMGKBH-QAPCUYQASA-N
XLogP3.56
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one (CID 99853102) is (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one is O=C1C[C@@H]([C@@H]2CCCCN2Cc2ccc(Oc3ccccc3)o2)CN1.
What is the InChIKey of (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one?
The InChIKey is KAAQNURZZMGKBH-QAPCUYQASA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19-12-15(13-21-19)18-8-4-5-11-22(18)14-17-9-10-20(25-17)24-16-6-2-1-3-7-16/h1-3,6-7,9-10,15,18H,4-5,8,11-14H2,(H,21,23)/t15-,18+/m1/s1.
What are the key properties of (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one?
(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one has a molecular weight of 340.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 99853102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).