1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone

C18H20ClN3O2 — CID 95922805

IUPAC1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20ClN3O2/c1-13-11-17(21-18(20-13)22-9-3-2-4-10-22)24-12-16(23)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyKYARFPALEFMQSW-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.69
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone

1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone (PubChem CID 95922805) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
PubChem CID95922805
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone
SMILESCc1cc(OCC(=O)c2ccc(Cl)cc2)nc(N2CCCCC2)n1
InChIInChI=1S/C18H20ClN3O2/c1-13-11-17(21-18(20-13)22-9-3-2-4-10-22)24-12-16(23)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3
InChIKeyKYARFPALEFMQSW-UHFFFAOYSA-N
XLogP3.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-chloro-6-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133294918
2-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46391547
N-(3-ethylphenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834863
N-(1,3-benzodioxol-5-yl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 50834905
N-(4-chloro-2-fluorophenyl)-3-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-3-oxopropanamide
CID 58865283
1-(4-chlorophenyl)-2-[(4-pyrrolidin-1-yl-1,2,5-thiadiazol-3-yl)oxy]ethanone
CID 43949478
N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322300
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 135606981
4-acetyl-2-[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]benzonitrile
CID 133457720
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 4103485

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone (CID 95922805) is 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone is Cc1cc(OCC(=O)c2ccc(Cl)cc2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone?
The InChIKey is KYARFPALEFMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-11-17(21-18(20-13)22-9-3-2-4-10-22)24-12-16(23)14-5-7-15(19)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone?
1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone has a molecular weight of 345.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyethanone is sourced from PubChem (CID 95922805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).