2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone

C24H32N2O3 — CID 119163603

IUPAC2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(CNC(C)c2ccccc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H32N2O3/c1-3-28-23-16-20(17-25-19(2)21-10-6-4-7-11-21)12-13-22(23)29-18-24(27)26-14-8-5-9-15-26/h4,6-7,10-13,16,19,25H,3,5,8-9,14-15,17-18H2,1-2H3
InChIKeyOSNYFFUXDOACAC-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.33
Rot. Bonds9

About 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone

2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone (PubChem CID 119163603) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
PubChem CID119163603
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(CNC(C)c2ccccc2)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C24H32N2O3/c1-3-28-23-16-20(17-25-19(2)21-10-6-4-7-11-21)12-13-22(23)29-18-24(27)26-14-8-5-9-15-26/h4,6-7,10-13,16,19,25H,3,5,8-9,14-15,17-18H2,1-2H3
InChIKeyOSNYFFUXDOACAC-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(1-phenylethylamino)propan-2-yl] 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoate
CID 42975908
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
4-chloro-3-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylamino]-N-propan-2-ylbenzamide
CID 167805072
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
2-[2-ethoxy-4-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 47624012
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[2-methoxy-4-[[[(1R)-1-phenylethyl]amino]methyl]phenoxy]acetamide
CID 7384832
2-[4-[(3,3-dimethylbutan-2-ylamino)methyl]-2-ethoxyphenoxy]-N-(1-phenylethyl)acetamide;hydrochloride
CID 90483170
2-[2-ethoxy-4-[[(4-hydroxypyrrolidin-3-yl)methylamino]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 120962275
2-[4-[[[(3R)-1,1-dioxothiolan-3-yl]amino]methyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 39965932
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone (CID 119163603) is 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone is CCOc1cc(CNC(C)c2ccccc2)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
The InChIKey is OSNYFFUXDOACAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-3-28-23-16-20(17-25-19(2)21-10-6-4-7-11-21)12-13-22(23)29-18-24(27)26-14-8-5-9-15-26/h4,6-7,10-13,16,19,25H,3,5,8-9,14-15,17-18H2,1-2H3.
What are the key properties of 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone?
2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone has a molecular weight of 396.53 g/mol, XLogP of 4.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(1-phenylethylamino)methyl]phenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 119163603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).