1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one

C22H32N2O2 — CID 71522744

IUPAC1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CCN1CCC(C2CCCOC2)C1
InChIInChI=1S/C22H32N2O2/c25-22-9-3-4-12-24(22)21-8-2-1-6-18(21)10-13-23-14-11-19(16-23)20-7-5-15-26-17-20/h1-2,6,8,19-20H,3-5,7,9-17H2
InChIKeyANNVYFKRXDVEIE-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one

1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one (PubChem CID 71522744) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
PubChem CID71522744
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one
SMILESO=C1CCCCN1c1ccccc1CCN1CCC(C2CCCOC2)C1
InChIInChI=1S/C22H32N2O2/c25-22-9-3-4-12-24(22)21-8-2-1-6-18(21)10-13-23-14-11-19(16-23)20-7-5-15-26-17-20/h1-2,6,8,19-20H,3-5,7,9-17H2
InChIKeyANNVYFKRXDVEIE-UHFFFAOYSA-N
XLogP3.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one (CID 71522744) is 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one is O=C1CCCCN1c1ccccc1CCN1CCC(C2CCCOC2)C1.
What is the InChIKey of 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?
The InChIKey is ANNVYFKRXDVEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-22-9-3-4-12-24(22)21-8-2-1-6-18(21)10-13-23-14-11-19(16-23)20-7-5-15-26-17-20/h1-2,6,8,19-20H,3-5,7,9-17H2.
What are the key properties of 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one?
1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one has a molecular weight of 356.51 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[3-(oxan-3-yl)pyrrolidin-1-yl]ethyl]phenyl]piperidin-2-one is sourced from PubChem (CID 71522744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).