N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide

C19H22ClFN4O2 — CID 95092261

IUPACN-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC[C@H](C)C2)n1
InChIInChI=1S/C19H22ClFN4O2/c1-12-4-3-7-25(10-12)19-22-13(2)8-18(24-19)27-11-17(26)23-16-6-5-14(21)9-15(16)20/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyKWFLXUBGEVKPDX-LBPRGKRZSA-N
MW392.86 g/mol
LogP3.83
Rot. Bonds5

About N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide

N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide (PubChem CID 95092261) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
PubChem CID95092261
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC[C@H](C)C2)n1
InChIInChI=1S/C19H22ClFN4O2/c1-12-4-3-7-25(10-12)19-22-13(2)8-18(24-19)27-11-17(26)23-16-6-5-14(21)9-15(16)20/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1
InChIKeyKWFLXUBGEVKPDX-LBPRGKRZSA-N
XLogP3.83
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]oxyacetamide
CID 53129457
N-(2,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334001
N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 51611391
N-(2-chloro-4-fluorophenyl)-2-[[2-[(3R)-3-methylpiperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl]acetamide
CID 93072215
N-(2-chloro-4-fluorophenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896946
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(3,4-difluorophenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109334018
N-(2-methoxy-5-methylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109333973
N-(2-chloro-4-fluorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 42911884
N-(2-chloro-4-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545627
6-methyl-2-(3-methylpiperidin-1-yl)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319530
N-(2,5-difluorophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224260

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide (CID 95092261) is N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide is Cc1cc(OCC(=O)Nc2ccc(F)cc2Cl)nc(N2CCC[C@H](C)C2)n1.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
The InChIKey is KWFLXUBGEVKPDX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-12-4-3-7-25(10-12)19-22-13(2)8-18(24-19)27-11-17(26)23-16-6-5-14(21)9-15(16)20/h5-6,8-9,12H,3-4,7,10-11H2,1-2H3,(H,23,26)/t12-/m0/s1.
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide?
N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide has a molecular weight of 392.86 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide is sourced from PubChem (CID 95092261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).