2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone

C22H32N2O2 — CID 156601703

IUPAC2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(16-18-8-4-5-9-18)24-15-12-22(26,19-10-2-1-3-11-19)20(17-24)23-13-6-7-14-23/h1-3,10-11,18,20,26H,4-9,12-17H2
InChIKeyGNSUZOUYQFXHHA-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.15
Rot. Bonds4

About 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone

2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 156601703) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
PubChem CID156601703
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(16-18-8-4-5-9-18)24-15-12-22(26,19-10-2-1-3-11-19)20(17-24)23-13-6-7-14-23/h1-3,10-11,18,20,26H,4-9,12-17H2
InChIKeyGNSUZOUYQFXHHA-UHFFFAOYSA-N
XLogP3.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone (CID 156601703) is 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone is O=C(CC1CCCC1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1.
What is the InChIKey of 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is GNSUZOUYQFXHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(16-18-8-4-5-9-18)24-15-12-22(26,19-10-2-1-3-11-19)20(17-24)23-13-6-7-14-23/h1-3,10-11,18,20,26H,4-9,12-17H2.
What are the key properties of 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone?
2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 356.51 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 156601703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).