(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one

C18H23N3O — CID 97155350

IUPAC(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one
SMILESCc1cnc(CCN2C[C@@](C)(c3ccccc3)CCC2=O)[nH]1
InChIInChI=1S/C18H23N3O/c1-14-12-19-16(20-14)9-11-21-13-18(2,10-8-17(21)22)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyASTMTHADIXLSAX-SFHVURJKSA-N
MW297.40 g/mol
LogP2.84
Rot. Bonds4

About (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one

(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one (PubChem CID 97155350) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one
PubChem CID97155350
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one
SMILESCc1cnc(CCN2C[C@@](C)(c3ccccc3)CCC2=O)[nH]1
InChIInChI=1S/C18H23N3O/c1-14-12-19-16(20-14)9-11-21-13-18(2,10-8-17(21)22)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,19,20)/t18-/m0/s1
InChIKeyASTMTHADIXLSAX-SFHVURJKSA-N
XLogP2.84
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one (CID 97155350) is (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one is Cc1cnc(CCN2C[C@@](C)(c3ccccc3)CCC2=O)[nH]1.
What is the InChIKey of (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one?
The InChIKey is ASTMTHADIXLSAX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-12-19-16(20-14)9-11-21-13-18(2,10-8-17(21)22)15-6-4-3-5-7-15/h3-7,12H,8-11,13H2,1-2H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one?
(5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-1-[2-(5-methyl-1H-imidazol-2-yl)ethyl]-5-phenylpiperidin-2-one is sourced from PubChem (CID 97155350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).