2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone

C21H32N2O3 — CID 99947078

IUPAC2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCOC[C@@H]1CCCCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-16-19-7-3-6-14-23(19)15-18-8-10-20(11-9-18)26-17-21(24)22-12-4-2-5-13-22/h8-11,19H,2-7,12-17H2,1H3/t19-/m0/s1
InChIKeyCVKATFAXOVAMSL-IBGZPJMESA-N
MW360.50 g/mol
LogP3.08
Rot. Bonds7

About 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone

2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 99947078) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID99947078
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCOC[C@@H]1CCCCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H32N2O3/c1-25-16-19-7-3-6-14-23(19)15-18-8-10-20(11-9-18)26-17-21(24)22-12-4-2-5-13-22/h8-11,19H,2-7,12-17H2,1H3/t19-/m0/s1
InChIKeyCVKATFAXOVAMSL-IBGZPJMESA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone with MolForge

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Related Compounds

1,3-dimethyl-4-[[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methyl]piperazin-2-one
CID 56706210
1-[2-(hydroxymethyl)azepan-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 116636305
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
2-[4-[(4-cyclopentyl-1,4-diazepan-1-yl)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 131909615
2-(4-bromophenoxy)-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635875
2-(4-ethylphenoxy)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 134026639
4-[4-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70764780
4-[4-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 78084914
2-[4-[[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 138380921
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone (CID 99947078) is 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone is COC[C@@H]1CCCCN1Cc1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is CVKATFAXOVAMSL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H32N2O3/c1-25-16-19-7-3-6-14-23(19)15-18-8-10-20(11-9-18)26-17-21(24)22-12-4-2-5-13-22/h8-11,19H,2-7,12-17H2,1H3/t19-/m0/s1.
What are the key properties of 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone?
2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 360.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2S)-2-(methoxymethyl)piperidin-1-yl]methyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 99947078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).