[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C22H24N4O2 — CID 97280653

IUPAC[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C22H24N4O2/c27-16-18-3-5-19(6-4-18)22(28)26-12-1-2-20(15-26)21-24-11-13-25(21)14-17-7-9-23-10-8-17/h3-11,13,20,27H,1-2,12,14-16H2/t20-/m1/s1
InChIKeyYTNPXXCSACPLRK-HXUWFJFHSA-N
MW376.46 g/mol
LogP2.84
Rot. Bonds5

About [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97280653) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97280653
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(CO)cc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1
InChIInChI=1S/C22H24N4O2/c27-16-18-3-5-19(6-4-18)22(28)26-12-1-2-20(15-26)21-24-11-13-25(21)14-17-7-9-23-10-8-17/h3-11,13,20,27H,1-2,12,14-16H2/t20-/m1/s1
InChIKeyYTNPXXCSACPLRK-HXUWFJFHSA-N
XLogP2.84
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 97121178
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-7-yl)methanone
CID 97276543
[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 72869064
(3-fluoro-4-pyridinyl)-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72927120
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
4-[3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 72921169
4-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1,3-dihydroimidazol-2-one
CID 97147336
(5-methyl-1,2-oxazol-3-yl)-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97281406
[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 97270282
(2-methoxy-3-pyridinyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97284377

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97280653) is [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc(CO)cc1)N1CCC[C@@H](c2nccn2Cc2ccncc2)C1.
What is the InChIKey of [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is YTNPXXCSACPLRK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-16-18-3-5-19(6-4-18)22(28)26-12-1-2-20(15-26)21-24-11-13-25(21)14-17-7-9-23-10-8-17/h3-11,13,20,27H,1-2,12,14-16H2/t20-/m1/s1.
What are the key properties of [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97280653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).