1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one

C21H29N3O2 — CID 69494503

IUPAC1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(C2CC3CC[C@H](C2)O3)CC(c2ccccc2)N1C1CCNCC1
InChIInChI=1S/C21H29N3O2/c25-21-23(17-12-18-6-7-19(13-17)26-18)14-20(15-4-2-1-3-5-15)24(21)16-8-10-22-11-9-16/h1-5,16-20,22H,6-14H2/t17?,18-,19?,20?/m1/s1
InChIKeySSBXVUWXPGMQTF-HTYYJLERSA-N
MW355.48 g/mol
LogP2.93
Rot. Bonds3

About 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one

1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one (PubChem CID 69494503) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
PubChem CID69494503
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one
SMILESO=C1N(C2CC3CC[C@H](C2)O3)CC(c2ccccc2)N1C1CCNCC1
InChIInChI=1S/C21H29N3O2/c25-21-23(17-12-18-6-7-19(13-17)26-18)14-20(15-4-2-1-3-5-15)24(21)16-8-10-22-11-9-16/h1-5,16-20,22H,6-14H2/t17?,18-,19?,20?/m1/s1
InChIKeySSBXVUWXPGMQTF-HTYYJLERSA-N
XLogP2.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one (CID 69494503) is 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one is O=C1N(C2CC3CC[C@H](C2)O3)CC(c2ccccc2)N1C1CCNCC1.
What is the InChIKey of 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
The InChIKey is SSBXVUWXPGMQTF-HTYYJLERSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-21-23(17-12-18-6-7-19(13-17)26-18)14-20(15-4-2-1-3-5-15)24(21)16-8-10-22-11-9-16/h1-5,16-20,22H,6-14H2/t17?,18-,19?,20?/m1/s1.
What are the key properties of 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one?
1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-8-oxabicyclo[3.2.1]octan-3-yl]-4-phenyl-3-piperidin-4-ylimidazolidin-2-one is sourced from PubChem (CID 69494503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).