(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone

C14H16N4O2 — CID 43417527

IUPAC(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC(O)CC1
InChIInChI=1S/C14H16N4O2/c19-12-3-6-17(7-4-12)14(20)11-1-2-13(16-9-11)18-8-5-15-10-18/h1-2,5,8-10,12,19H,3-4,6-7H2
InChIKeyYQJPGEGQSHAXFQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.86
Rot. Bonds2

About (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone

(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (PubChem CID 43417527) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
PubChem CID43417527
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
SMILESO=C(c1ccc(-n2ccnc2)nc1)N1CCC(O)CC1
InChIInChI=1S/C14H16N4O2/c19-12-3-6-17(7-4-12)14(20)11-1-2-13(16-9-11)18-8-5-15-10-18/h1-2,5,8-10,12,19H,3-4,6-7H2
InChIKeyYQJPGEGQSHAXFQ-UHFFFAOYSA-N
XLogP0.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858
(2,5-difluorophenyl)-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]methanone
CID 47057916
(6-imidazol-1-yl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 33018433
(6-imidazol-1-yl-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 119580052
4-fluoro-N-[1-(6-imidazol-1-ylpyridine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 34345375
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 39975735
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
(6-imidazol-1-yl-3-pyridinyl)-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124963732
(6-imidazol-1-yl-3-pyridinyl)-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95586250

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone (CID 43417527) is (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is O=C(c1ccc(-n2ccnc2)nc1)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
The InChIKey is YQJPGEGQSHAXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-12-3-6-17(7-4-12)14(20)11-1-2-13(16-9-11)18-8-5-15-10-18/h1-2,5,8-10,12,19H,3-4,6-7H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone?
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone has a molecular weight of 272.31 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 43417527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).