1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one

C16H24N4O2 — CID 146077970

IUPAC1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCN1CC(CN2CCCC(COc3ncccn3)C2)CC1=O
InChIInChI=1S/C16H24N4O2/c1-19-9-14(8-15(19)21)11-20-7-2-4-13(10-20)12-22-16-17-5-3-6-18-16/h3,5-6,13-14H,2,4,7-12H2,1H3
InChIKeyDANFDOZTMLOZAO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.05
Rot. Bonds5

About 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one

1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 146077970) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID146077970
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one
SMILESCN1CC(CN2CCCC(COc3ncccn3)C2)CC1=O
InChIInChI=1S/C16H24N4O2/c1-19-9-14(8-15(19)21)11-20-7-2-4-13(10-20)12-22-16-17-5-3-6-18-16/h3,5-6,13-14H,2,4,7-12H2,1H3
InChIKeyDANFDOZTMLOZAO-UHFFFAOYSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
CID 126955026
5-[(3-bromo-2-pyridinyl)oxymethyl]-1-methylpiperidin-2-one
CID 126955061
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 155980992
1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
2-[[1-(5-ethylthiophen-2-yl)sulfonylpiperidin-3-yl]methoxy]pyrimidine
CID 138989165
4-[(2-ethylphenoxy)methyl]-1-methylpyrrolidin-2-one
CID 13362254
N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
CID 138989107
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497
methyl 2-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]acetate
CID 124721465
1-[(1-ethylpiperidin-3-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77087702
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one (CID 146077970) is 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one is CN1CC(CN2CCCC(COc3ncccn3)C2)CC1=O.
What is the InChIKey of 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is DANFDOZTMLOZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-9-14(8-15(19)21)11-20-7-2-4-13(10-20)12-22-16-17-5-3-6-18-16/h3,5-6,13-14H,2,4,7-12H2,1H3.
What are the key properties of 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one?
1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(pyrimidin-2-yloxymethyl)piperidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 146077970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).