5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one

C24H24ClN3O2 — CID 92648935

IUPAC5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-21-8-6-19(7-9-21)23-26-16-20(24(30)27-23)15-22(29)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,26,27,30)
InChIKeyUCCXWBFLNRFDAC-UHFFFAOYSA-N
MW421.93 g/mol
LogP4.11
Rot. Bonds5

About 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one

5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one (PubChem CID 92648935) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
PubChem CID92648935
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC Name5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
SMILESO=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24ClN3O2/c25-21-8-6-19(7-9-21)23-26-16-20(24(30)27-23)15-22(29)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,26,27,30)
InChIKeyUCCXWBFLNRFDAC-UHFFFAOYSA-N
XLogP4.11
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
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4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556646
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1-(4-benzylpiperidin-1-yl)-2-(5-chloro-1-benzofuran-3-yl)ethanone
CID 18860355
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2388361
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-one
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CID 3386923
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
1-(4-benzylpiperidin-1-yl)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4227777
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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one (CID 92648935) is 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one is O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one?
The InChIKey is UCCXWBFLNRFDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-21-8-6-19(7-9-21)23-26-16-20(24(30)27-23)15-22(29)28-12-10-18(11-13-28)14-17-4-2-1-3-5-17/h1-9,16,18H,10-15H2,(H,26,27,30).
What are the key properties of 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one?
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one has a molecular weight of 421.93 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 92648935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).