(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one

C17H21N3O — CID 97146233

IUPAC(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CCn2ccnc2)C1
InChIInChI=1S/C17H21N3O/c1-17(15-5-3-2-4-6-15)8-7-16(21)20(13-17)12-11-19-10-9-18-14-19/h2-6,9-10,14H,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyVJIBOOUBYIKJHH-QGZVFWFLSA-N
MW283.38 g/mol
LogP2.46
Rot. Bonds4

About (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one

(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one (PubChem CID 97146233) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
PubChem CID97146233
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@@]1(c2ccccc2)CCC(=O)N(CCn2ccnc2)C1
InChIInChI=1S/C17H21N3O/c1-17(15-5-3-2-4-6-15)8-7-16(21)20(13-17)12-11-19-10-9-18-14-19/h2-6,9-10,14H,7-8,11-13H2,1H3/t17-/m1/s1
InChIKeyVJIBOOUBYIKJHH-QGZVFWFLSA-N
XLogP2.46
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70730500
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
1-(2-imidazol-1-ylethyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 72909890
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
(6R)-2-benzyl-8-(2-imidazol-1-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95885755
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
(5R)-1-(3-imidazol-1-ylpropyl)-5-methyl-5-(4-methylpent-3-enyl)piperidin-2-one
CID 97152133
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one (CID 97146233) is (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one is C[C@@]1(c2ccccc2)CCC(=O)N(CCn2ccnc2)C1.
What is the InChIKey of (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is VJIBOOUBYIKJHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(15-5-3-2-4-6-15)8-7-16(21)20(13-17)12-11-19-10-9-18-14-19/h2-6,9-10,14H,7-8,11-13H2,1H3/t17-/m1/s1.
What are the key properties of (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one?
(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 97146233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).