[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

C22H24N4O — CID 95838783

IUPAC[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4O/c1-2-20-23-13-15-26(20)21-12-6-11-19(24-21)18-10-7-14-25(16-18)22(27)17-8-4-3-5-9-17/h3-6,8-9,11-13,15,18H,2,7,10,14,16H2,1H3/t18-/m1/s1
InChIKeyYIDUCDLSWBZXBM-GOSISDBHSA-N
MW360.46 g/mol
LogP3.85
Rot. Bonds4

About [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone

[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (PubChem CID 95838783) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
PubChem CID95838783
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
SMILESCCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1
InChIInChI=1S/C22H24N4O/c1-2-20-23-13-15-26(20)21-12-6-11-19(24-21)18-10-7-14-25(16-18)22(27)17-8-4-3-5-9-17/h3-6,8-9,11-13,15,18H,2,7,10,14,16H2,1H3/t18-/m1/s1
InChIKeyYIDUCDLSWBZXBM-GOSISDBHSA-N
XLogP3.85
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838924
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267980
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110267944
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773
1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95838850
(4-fluorophenyl)-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838776
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone (CID 95838783) is [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is CCc1nccn1-c1cccc([C@@H]2CCCN(C(=O)c3ccccc3)C2)n1.
What is the InChIKey of [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is YIDUCDLSWBZXBM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-20-23-13-15-26(20)21-12-6-11-19(24-21)18-10-7-14-25(16-18)22(27)17-8-4-3-5-9-17/h3-6,8-9,11-13,15,18H,2,7,10,14,16H2,1H3/t18-/m1/s1.
What are the key properties of [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone?
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 360.46 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 95838783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).