6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one

C16H25N3O2 — CID 126941650

IUPAC6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOCCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C16H25N3O2/c1-21-9-8-18-6-4-13(5-7-18)11-19-12-17-15(10-16(19)20)14-2-3-14/h10,12-14H,2-9,11H2,1H3
InChIKeyZVXHSITVUUEKIS-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.48
Rot. Bonds6

About 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941650) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941650
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCOCCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C16H25N3O2/c1-21-9-8-18-6-4-13(5-7-18)11-19-12-17-15(10-16(19)20)14-2-3-14/h10,12-14H,2-9,11H2,1H3
InChIKeyZVXHSITVUUEKIS-UHFFFAOYSA-N
XLogP1.48
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-3-[[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941774
6-cyclopropyl-3-[[1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941809
6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941776
6-cyclopropyl-3-[[1-[(1-hydroxycyclobutyl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941926
6-cyclopropyl-3-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941670
6-cyclopropyl-3-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941807
6-cyclopropyl-3-[[1-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941896
6-cyclopropyl-3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941866
6-cyclopropyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941867
2-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridazin-3-one
CID 126863942
6-cyclopropyl-3-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941733
6-cyclopropyl-3-[[1-[(3-hydroxyoxolan-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941931

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941650) is 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one is COCCN1CCC(Cn2cnc(C3CC3)cc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is ZVXHSITVUUEKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-9-8-18-6-4-13(5-7-18)11-19-12-17-15(10-16(19)20)14-2-3-14/h10,12-14H,2-9,11H2,1H3.
What are the key properties of 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 291.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).