1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone

C21H22N4O — CID 110267731

IUPAC1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2cccc(-n3ccnc3)n2)C1
InChIInChI=1S/C21H22N4O/c26-21(14-17-6-2-1-3-7-17)24-12-5-8-18(15-24)19-9-4-10-20(23-19)25-13-11-22-16-25/h1-4,6-7,9-11,13,16,18H,5,8,12,14-15H2
InChIKeyMKRJNOYVZJTYRJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds4

About 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone

1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone (PubChem CID 110267731) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
PubChem CID110267731
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CCCC(c2cccc(-n3ccnc3)n2)C1
InChIInChI=1S/C21H22N4O/c26-21(14-17-6-2-1-3-7-17)24-12-5-8-18(15-24)19-9-4-10-20(23-19)25-13-11-22-16-25/h1-4,6-7,9-11,13,16,18H,5,8,12,14-15H2
InChIKeyMKRJNOYVZJTYRJ-UHFFFAOYSA-N
XLogP3.22
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-(6-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95815681
cyclopentyl-[(3R)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 95838424
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 110249442
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838563
2-[(3S)-1-cyclohexylpiperidin-3-yl]-6-imidazol-1-ylpyridine
CID 95838629
2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
1-[(3S)-3-[6-(4-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809337
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-imidazol-1-ylpyridine
CID 95815726
1-[(3S)-3-[6-(2-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-phenylethanone
CID 95809333
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
2-phenyl-1-[(3S)-3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 95111045

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone (CID 110267731) is 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CCCC(c2cccc(-n3ccnc3)n2)C1.
What is the InChIKey of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone?
The InChIKey is MKRJNOYVZJTYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(14-17-6-2-1-3-7-17)24-12-5-8-18(15-24)19-9-4-10-20(23-19)25-13-11-22-16-25/h1-4,6-7,9-11,13,16,18H,5,8,12,14-15H2.
What are the key properties of 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone?
1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone has a molecular weight of 346.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110267731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).