(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one

C19H27NO2 — CID 97124358

IUPAC(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(CCC2(O)CCCC2)C1
InChIInChI=1S/C19H27NO2/c1-18(16-7-3-2-4-8-16)12-9-17(21)20(15-18)14-13-19(22)10-5-6-11-19/h2-4,7-8,22H,5-6,9-15H2,1H3/t18-/m0/s1
InChIKeyOJIFZINOROLUIV-SFHVURJKSA-N
MW301.43 g/mol
LogP3.26
Rot. Bonds4

About (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one

(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one (PubChem CID 97124358) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one
PubChem CID97124358
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Name(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(CCC2(O)CCCC2)C1
InChIInChI=1S/C19H27NO2/c1-18(16-7-3-2-4-8-16)12-9-17(21)20(15-18)14-13-19(22)10-5-6-11-19/h2-4,7-8,22H,5-6,9-15H2,1H3/t18-/m0/s1
InChIKeyOJIFZINOROLUIV-SFHVURJKSA-N
XLogP3.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one (CID 97124358) is (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one is C[C@]1(c2ccccc2)CCC(=O)N(CCC2(O)CCCC2)C1.
What is the InChIKey of (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is OJIFZINOROLUIV-SFHVURJKSA-N. The full InChI is InChI=1S/C19H27NO2/c1-18(16-7-3-2-4-8-16)12-9-17(21)20(15-18)14-13-19(22)10-5-6-11-19/h2-4,7-8,22H,5-6,9-15H2,1H3/t18-/m0/s1.
What are the key properties of (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one?
(5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 301.43 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[2-(1-hydroxycyclopentyl)ethyl]-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 97124358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).