(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one

C21H32N2O2 — CID 97115478

IUPAC(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCOCCN1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1
InChIInChI=1S/C21H32N2O2/c1-21(19-6-4-3-5-7-19)11-8-20(24)23(17-21)16-18-9-12-22(13-10-18)14-15-25-2/h3-7,18H,8-17H2,1-2H3/t21-/m0/s1
InChIKeyZXKWIHBMKMDMCM-NRFANRHFSA-N
MW344.50 g/mol
LogP2.93
Rot. Bonds6

About (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one

(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one (PubChem CID 97115478) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
PubChem CID97115478
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
SMILESCOCCN1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1
InChIInChI=1S/C21H32N2O2/c1-21(19-6-4-3-5-7-19)11-8-20(24)23(17-21)16-18-9-12-22(13-10-18)14-15-25-2/h3-7,18H,8-17H2,1-2H3/t21-/m0/s1
InChIKeyZXKWIHBMKMDMCM-NRFANRHFSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one (CID 97115478) is (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one is COCCN1CCC(CN2C[C@@](C)(c3ccccc3)CCC2=O)CC1.
What is the InChIKey of (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is ZXKWIHBMKMDMCM-NRFANRHFSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(19-6-4-3-5-7-19)11-8-20(24)23(17-21)16-18-9-12-22(13-10-18)14-15-25-2/h3-7,18H,8-17H2,1-2H3/t21-/m0/s1.
What are the key properties of (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one?
(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 344.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 97115478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).