3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one

C18H21ClN4O3 — CID 154831232

IUPAC3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(COc3ccncc3Cl)CC2)cn1
InChIInChI=1S/C18H21ClN4O3/c1-13-8-17(24)23(12-21-13)10-18(25)22-6-3-14(4-7-22)11-26-16-2-5-20-9-15(16)19/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyJEWSUGDGFNXLRD-UHFFFAOYSA-N
MW376.84 g/mol
LogP1.92
Rot. Bonds5

About 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one

3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (PubChem CID 154831232) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
PubChem CID154831232
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CC(=O)N2CCC(COc3ccncc3Cl)CC2)cn1
InChIInChI=1S/C18H21ClN4O3/c1-13-8-17(24)23(12-21-13)10-18(25)22-6-3-14(4-7-22)11-26-16-2-5-20-9-15(16)19/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3
InChIKeyJEWSUGDGFNXLRD-UHFFFAOYSA-N
XLogP1.92
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one with MolForge

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Related Compounds

2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 163357321
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225
1-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 154831413
6-methyl-3-[2-oxo-2-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]ethyl]pyrimidin-4-one
CID 124891828
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 155800726
5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 154829498
3-methyl-1-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 131703742
6-methyl-3-[2-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 155977356

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one (CID 154831232) is 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is Cc1cc(=O)n(CC(=O)N2CCC(COc3ccncc3Cl)CC2)cn1.
What is the InChIKey of 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
The InChIKey is JEWSUGDGFNXLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-13-8-17(24)23(12-21-13)10-18(25)22-6-3-14(4-7-22)11-26-16-2-5-20-9-15(16)19/h2,5,8-9,12,14H,3-4,6-7,10-11H2,1H3.
What are the key properties of 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one?
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one has a molecular weight of 376.84 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 154831232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).