2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

C18H24N4O — CID 125010475

IUPAC2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)C2)cn1
InChIInChI=1S/C18H24N4O/c1-14-5-6-16(11-20-14)10-17-4-3-8-22(12-17)18(23)13-21-9-7-19-15(21)2/h5-7,9,11,17H,3-4,8,10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyVJRGIQBVUUFYRO-QGZVFWFLSA-N
MW312.42 g/mol
LogP2.38
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (PubChem CID 125010475) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
PubChem CID125010475
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
SMILESCc1ccc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)C2)cn1
InChIInChI=1S/C18H24N4O/c1-14-5-6-16(11-20-14)10-17-4-3-8-22(12-17)18(23)13-21-9-7-19-15(21)2/h5-7,9,11,17H,3-4,8,10,12-13H2,1-2H3/t17-/m1/s1
InChIKeyVJRGIQBVUUFYRO-QGZVFWFLSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-(2-ethylimidazol-1-yl)-1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124988678
2-(2-methylimidazol-1-yl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 127246352
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
2-(4-chloropyrazol-1-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103446
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124990141
1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110103422
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110103439
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 124981044
(1-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124943393
(2-methylpyrazol-3-yl)-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]methanone
CID 124987374
1-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124996672

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone (CID 125010475) is 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is Cc1ccc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)C2)cn1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is VJRGIQBVUUFYRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-5-6-16(11-20-14)10-17-4-3-8-22(12-17)18(23)13-21-9-7-19-15(21)2/h5-7,9,11,17H,3-4,8,10,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 312.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125010475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).