2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one

C19H25NO2 — CID 138678678

IUPAC2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one
SMILESCOc1ccc(CN2C(C3CC3)CC(=O)CC2C2CC2)cc1
InChIInChI=1S/C19H25NO2/c1-22-17-8-2-13(3-9-17)12-20-18(14-4-5-14)10-16(21)11-19(20)15-6-7-15/h2-3,8-9,14-15,18-19H,4-7,10-12H2,1H3
InChIKeyDYHHYQTVUNORLY-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.42
Rot. Bonds5

About 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one

2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one (PubChem CID 138678678) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one
PubChem CID138678678
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one
SMILESCOc1ccc(CN2C(C3CC3)CC(=O)CC2C2CC2)cc1
InChIInChI=1S/C19H25NO2/c1-22-17-8-2-13(3-9-17)12-20-18(14-4-5-14)10-16(21)11-19(20)15-6-7-15/h2-3,8-9,14-15,18-19H,4-7,10-12H2,1H3
InChIKeyDYHHYQTVUNORLY-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,6-dimethylpiperidin-4-one
CID 134307745
(1S,6R)-9-[(4-methoxyphenyl)methyl]-9-azabicyclo[4.2.1]nonane-2,8-dione
CID 102367121
2-iodo-1-[(4-methoxyphenyl)methyl]piperidin-4-one
CID 174798266
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
(5R)-5-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 124629774
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
9-[2-(4-methoxyphenyl)acetyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 134792842
[4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110008065
(1S,10S)-13-[(4-methoxyphenyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 136916388
(1R,10R)-13-[(4-methoxyphenyl)methyl]-5-methyl-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 136916389
2-[(2R)-1-[(4-methoxyphenyl)methyl]-4-oxoazetidin-2-yl]acetaldehyde
CID 14543427

Frequently Asked Questions

What is the IUPAC name of 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The IUPAC name of 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one (CID 138678678) is 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one.
What is the SMILES notation for 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The canonical SMILES for 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one is COc1ccc(CN2C(C3CC3)CC(=O)CC2C2CC2)cc1.
What is the InChIKey of 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
The InChIKey is DYHHYQTVUNORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-22-17-8-2-13(3-9-17)12-20-18(14-4-5-14)10-16(21)11-19(20)15-6-7-15/h2-3,8-9,14-15,18-19H,4-7,10-12H2,1H3.
What are the key properties of 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one?
2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one has a molecular weight of 299.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dicyclopropyl-1-[(4-methoxyphenyl)methyl]piperidin-4-one is sourced from PubChem (CID 138678678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).