4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one

C26H28N2O2 — CID 67105173

IUPAC4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one
SMILESC[C@@H](c1ccc(-c2cccnc2)cc1)N1CCC(CCO)(c2ccccc2)CC1=O
InChIInChI=1S/C26H28N2O2/c1-20(21-9-11-22(12-10-21)23-6-5-15-27-19-23)28-16-13-26(14-17-29,18-25(28)30)24-7-3-2-4-8-24/h2-12,15,19-20,29H,13-14,16-18H2,1H3/t20-,26?/m0/s1
InChIKeyUZGYIMQRPXHAKU-DQUNLGLBSA-N
MW400.52 g/mol
LogP4.75
Rot. Bonds6

About 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one

4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one (PubChem CID 67105173) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one
PubChem CID67105173
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one
SMILESC[C@@H](c1ccc(-c2cccnc2)cc1)N1CCC(CCO)(c2ccccc2)CC1=O
InChIInChI=1S/C26H28N2O2/c1-20(21-9-11-22(12-10-21)23-6-5-15-27-19-23)28-16-13-26(14-17-29,18-25(28)30)24-7-3-2-4-8-24/h2-12,15,19-20,29H,13-14,16-18H2,1H3/t20-,26?/m0/s1
InChIKeyUZGYIMQRPXHAKU-DQUNLGLBSA-N
XLogP4.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one (CID 67105173) is 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one is C[C@@H](c1ccc(-c2cccnc2)cc1)N1CCC(CCO)(c2ccccc2)CC1=O.
What is the InChIKey of 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one?
The InChIKey is UZGYIMQRPXHAKU-DQUNLGLBSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-20(21-9-11-22(12-10-21)23-6-5-15-27-19-23)28-16-13-26(14-17-29,18-25(28)30)24-7-3-2-4-8-24/h2-12,15,19-20,29H,13-14,16-18H2,1H3/t20-,26?/m0/s1.
What are the key properties of 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one?
4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one has a molecular weight of 400.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-4-phenyl-1-[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]piperidin-2-one is sourced from PubChem (CID 67105173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).