[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

C17H22N4O2 — CID 110111276

IUPAC[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1nccn1-c1ccc(C(=O)N2CCC(CO)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-2-15-18-7-10-21(15)16-4-3-14(11-19-16)17(23)20-8-5-13(12-22)6-9-20/h3-4,7,10-11,13,22H,2,5-6,8-9,12H2,1H3
InChIKeyZTUJMBSVTSBHIA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.67
Rot. Bonds4

About [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone

[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 110111276) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID110111276
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCc1nccn1-c1ccc(C(=O)N2CCC(CO)CC2)cn1
InChIInChI=1S/C17H22N4O2/c1-2-15-18-7-10-21(15)16-4-3-14(11-19-16)17(23)20-8-5-13(12-22)6-9-20/h3-4,7,10-11,13,22H,2,5-6,8-9,12H2,1H3
InChIKeyZTUJMBSVTSBHIA-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[6-(2-ethylimidazol-1-yl)-3-pyridinyl]methanone
CID 110140427
[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[3-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
CID 110120163
(4-chlorophenyl)-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492756
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
[4-(dimethylamino)phenyl]-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493255
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-naphthalen-2-ylmethanone
CID 90492768
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
(4-aminopiperidin-1-yl)-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 119374279
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 110111276) is [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is CCc1nccn1-c1ccc(C(=O)N2CCC(CO)CC2)cn1.
What is the InChIKey of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is ZTUJMBSVTSBHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-2-15-18-7-10-21(15)16-4-3-14(11-19-16)17(23)20-8-5-13(12-22)6-9-20/h3-4,7,10-11,13,22H,2,5-6,8-9,12H2,1H3.
What are the key properties of [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone?
[6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethylimidazol-1-yl)-3-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110111276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).