(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one

C16H19N3O — CID 97119145

IUPAC(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C16H19N3O/c1-16(13-5-3-2-4-6-13)8-7-15(20)19(12-16)11-14-17-9-10-18-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyBFHDJCONMVTMEZ-INIZCTEOSA-N
MW269.35 g/mol
LogP2.49
Rot. Bonds3

About (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one

(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one (PubChem CID 97119145) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one.

Molecular Properties

Compound Name(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one
PubChem CID97119145
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one
SMILESC[C@]1(c2ccccc2)CCC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C16H19N3O/c1-16(13-5-3-2-4-6-13)8-7-15(20)19(12-16)11-14-17-9-10-18-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,17,18)/t16-/m0/s1
InChIKeyBFHDJCONMVTMEZ-INIZCTEOSA-N
XLogP2.49
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one?
The IUPAC name of (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one (CID 97119145) is (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one.
What is the SMILES notation for (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one?
The canonical SMILES for (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one is C[C@]1(c2ccccc2)CCC(=O)N(Cc2ncc[nH]2)C1.
What is the InChIKey of (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one?
The InChIKey is BFHDJCONMVTMEZ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(13-5-3-2-4-6-13)8-7-15(20)19(12-16)11-14-17-9-10-18-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,17,18)/t16-/m0/s1.
What are the key properties of (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one?
(5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(1H-imidazol-2-ylmethyl)-5-methyl-5-phenylpiperidin-2-one is sourced from PubChem (CID 97119145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).