(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone

C17H21N3O — CID 124614411

IUPAC(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1
InChIInChI=1S/C17H21N3O/c1-17(14-7-4-3-5-8-14)9-6-10-20(12-17)16(21)15-11-19(2)13-18-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyFVKMLSSVYNUGJV-KRWDZBQOSA-N
MW283.38 g/mol
LogP2.61
Rot. Bonds2

About (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone

(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone (PubChem CID 124614411) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
PubChem CID124614411
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone
SMILESCn1cnc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1
InChIInChI=1S/C17H21N3O/c1-17(14-7-4-3-5-8-14)9-6-10-20(12-17)16(21)15-11-19(2)13-18-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyFVKMLSSVYNUGJV-KRWDZBQOSA-N
XLogP2.61
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 97138452
(4-chloro-1-methylpyrrol-2-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97125905
(1,2-dimethylpyrrol-3-yl)-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72938900
2-(1-methylimidazole-4-carbonyl)-N-phenyl-2,7-diazaspiro[3.4]octane-7-carboxamide
CID 97411912
[5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-3-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72841576
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97285272
4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 124615496
(3,3-diphenylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 72872127
[(5R)-9-benzyl-1,9-diazaspiro[4.5]decan-1-yl]-(1-methylimidazol-4-yl)methanone
CID 97393382
[(3S)-3-methyl-3-phenylpiperidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 99123471

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone (CID 124614411) is (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone is Cn1cnc(C(=O)N2CCC[C@](C)(c3ccccc3)C2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone?
The InChIKey is FVKMLSSVYNUGJV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(14-7-4-3-5-8-14)9-6-10-20(12-17)16(21)15-11-19(2)13-18-15/h3-5,7-8,11,13H,6,9-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone?
(1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone has a molecular weight of 283.38 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-[(3R)-3-methyl-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 124614411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).