4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one

C21H19ClN4O2 — CID 137291420

IUPAC4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-18(24-19(25-20(17)27)15-6-10-23-11-7-15)14-8-12-26(13-9-14)21(28)16-4-2-1-3-5-16/h1-7,10-11,14H,8-9,12-13H2,(H,24,25,27)
InChIKeyCYBAVXRGEFUFBX-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.51
Rot. Bonds3

About 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one

4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137291420) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137291420
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(c1ccccc1)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1
InChIInChI=1S/C21H19ClN4O2/c22-17-18(24-19(25-20(17)27)15-6-10-23-11-7-15)14-8-12-26(13-9-14)21(28)16-4-2-1-3-5-16/h1-7,10-11,14H,8-9,12-13H2,(H,24,25,27)
InChIKeyCYBAVXRGEFUFBX-UHFFFAOYSA-N
XLogP3.51
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 142309356
5-chloro-4-[1-(2-methylbenzoyl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one;ethane
CID 142309355
5-chloro-4-(1-methylpiperidin-4-yl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137289020
4-[1-(benzenesulfinyl)piperidin-4-yl]-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 155217234
5-chloro-4-[(2S)-2-(2-hydroxypropan-2-yl)piperidin-4-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 146521380
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137291501
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
[4-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 92575277
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729697

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137291420) is 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one is O=C(c1ccccc1)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1.
What is the InChIKey of 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is CYBAVXRGEFUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-18(24-19(25-20(17)27)15-6-10-23-11-7-15)14-8-12-26(13-9-14)21(28)16-4-2-1-3-5-16/h1-7,10-11,14H,8-9,12-13H2,(H,24,25,27).
What are the key properties of 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 394.86 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzoylpiperidin-4-yl)-5-chloro-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137291420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).