(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone

C22H22N4O2 — CID 86680859

IUPAC(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(18-7-4-11-24-20(18)19-8-12-23-16-25-19)26-13-9-22(28,10-14-26)15-17-5-2-1-3-6-17/h1-8,11-12,16,28H,9-10,13-15H2
InChIKeyOHRVYMHZGONAKH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.75
Rot. Bonds4

About (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone

(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone (PubChem CID 86680859) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone
PubChem CID86680859
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1
InChIInChI=1S/C22H22N4O2/c27-21(18-7-4-11-24-20(18)19-8-12-23-16-25-19)26-13-9-22(28,10-14-26)15-17-5-2-1-3-6-17/h1-8,11-12,16,28H,9-10,13-15H2
InChIKeyOHRVYMHZGONAKH-UHFFFAOYSA-N
XLogP2.75
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Soticlestat
CID 73437845
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid {4-[(3-hydroxy-propyl)-methyl-carbamoyl]-pyridin-3-yl}-amide
CID 58548260
6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
5-[(1S)-2-hydroxy-1-phenylethyl]-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 137649141
5-Benzyl-1-methyl-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
CID 137658266
[4-(4-Methylpyrimidin-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 15950792
2-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005270
2-[4-(2-Tert-butylisonicotinoyl)-1-piperazinyl]pyrimidine
CID 826926
N-(2-(dibutylamino)ethyl)-4-pentyl-N-((6-(pyrimidin-5-yl)pyridin-3-yl)methyl)benzamide
CID 44420439
N-(2-(dibutylamino)ethyl)-4-pentyl-N-((5-(pyrimidin-5-yl)pyridin-2-yl)methyl)benzamide
CID 44420444
[(4S,4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-pyrimidin-4-ylmethanone
CID 54587111
2-[2-[4-(4-Fluorobenzoyl)piperazin-1-yl]pyrimidin-4-yl]-2-pyridin-2-ylacetonitrile
CID 118735340

Frequently Asked Questions

What is the IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone?
The IUPAC name of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone (CID 86680859) is (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone is O=C(c1cccnc1-c1ccncn1)N1CCC(O)(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone?
The InChIKey is OHRVYMHZGONAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(18-7-4-11-24-20(18)19-8-12-23-16-25-19)26-13-9-22(28,10-14-26)15-17-5-2-1-3-6-17/h1-8,11-12,16,28H,9-10,13-15H2.
What are the key properties of (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone?
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone has a molecular weight of 374.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyrimidin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 86680859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).