[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

C14H16N4O — CID 110471318

IUPAC[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H16N4O/c19-14(11-3-5-15-6-4-11)18-9-1-2-12(10-18)13-16-7-8-17-13/h3-8,12H,1-2,9-10H2,(H,16,17)
InChIKeyOQMWALRITWFDOL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.82
Rot. Bonds2

About [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone

[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110471318) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110471318
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H16N4O/c19-14(11-3-5-15-6-4-11)18-9-1-2-12(10-18)13-16-7-8-17-13/h3-8,12H,1-2,9-10H2,(H,16,17)
InChIKeyOQMWALRITWFDOL-UHFFFAOYSA-N
XLogP1.82
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-2-yl)piperidine-1-carboxylic acid
CID 90026172
5-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 70749547
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
6-cyclopropyl-3-[3-(1H-imidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 136563424
(6-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 167931525
[4-(5-fluoroquinolin-3-yl)phenyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 163316198
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
1-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70718470
[3-(1H-imidazol-2-yl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 74245727
[(3R)-3-(1H-imidazol-2-yl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 124505736
pyridin-4-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 764830

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone (CID 110471318) is [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OQMWALRITWFDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(11-3-5-15-6-4-11)18-9-1-2-12(10-18)13-16-7-8-17-13/h3-8,12H,1-2,9-10H2,(H,16,17).
What are the key properties of [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone?
[3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 256.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110471318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).