[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone

C19H25N3O2 — CID 56751469

IUPAC[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)CC[C@@]1(C)O
InChIInChI=1S/C19H25N3O2/c1-4-15-12-22(11-10-19(15,3)24)18(23)16-13(2)20-17(21-16)14-8-6-5-7-9-14/h5-9,15,24H,4,10-12H2,1-3H3,(H,20,21)/t15-,19+/m0/s1
InChIKeyWLGIINNYUSFFKT-HNAYVOBHSA-N
MW327.43 g/mol
LogP3.01
Rot. Bonds3

About [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone

[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone (PubChem CID 56751469) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
PubChem CID56751469
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
SMILESCC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)CC[C@@]1(C)O
InChIInChI=1S/C19H25N3O2/c1-4-15-12-22(11-10-19(15,3)24)18(23)16-13(2)20-17(21-16)14-8-6-5-7-9-14/h5-9,15,24H,4,10-12H2,1-3H3,(H,20,21)/t15-,19+/m0/s1
InChIKeyWLGIINNYUSFFKT-HNAYVOBHSA-N
XLogP3.01
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 56758126
[(2S)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286761
[(2R)-2-benzylmorpholin-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 25286762
[(1R,2R,6S,7S)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone
CID 56873824
(1R,5S)-3-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133118072
2-(5-methyl-2-phenyl-1H-imidazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72926019
1-[4-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 133109471
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(3-propyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 29170162
(5-methyl-2-phenyl-1H-imidazol-4-yl)-spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-ylmethanone
CID 138806015
[1-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 146039511
2-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]chromen-4-one
CID 133131947

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The IUPAC name of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone (CID 56751469) is [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone.
What is the SMILES notation for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The canonical SMILES for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is CC[C@H]1CN(C(=O)c2nc(-c3ccccc3)[nH]c2C)CC[C@@]1(C)O.
What is the InChIKey of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
The InChIKey is WLGIINNYUSFFKT-HNAYVOBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-4-15-12-22(11-10-19(15,3)24)18(23)16-13(2)20-17(21-16)14-8-6-5-7-9-14/h5-9,15,24H,4,10-12H2,1-3H3,(H,20,21)/t15-,19+/m0/s1.
What are the key properties of [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone?
[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-2-phenyl-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 56751469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).