2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide

C22H28N2O2 — CID 16895752

IUPAC2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-22(18-26-21-9-5-2-6-10-21)23-17-20-12-15-24(16-13-20)14-11-19-7-3-1-4-8-19/h1-10,20H,11-18H2,(H,23,25)
InChIKeyNWUGLAKXWULXTR-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.14
Rot. Bonds8

About 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide

2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 16895752) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
PubChem CID16895752
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(COc1ccccc1)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H28N2O2/c25-22(18-26-21-9-5-2-6-10-21)23-17-20-12-15-24(16-13-20)14-11-19-7-3-1-4-8-19/h1-10,20H,11-18H2,(H,23,25)
InChIKeyNWUGLAKXWULXTR-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-N-[[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 97185415
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-(methylamino)-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]acetamide
CID 120704332
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
2-(4-chlorophenoxy)-N-[[1-[2-(4-chlorophenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 137402151
N-[[1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-2-phenoxyacetamide
CID 4675539
N'-(3-methoxyphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886956
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-phenoxyacetamide
CID 50875305
4-amino-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]pentanamide
CID 120565090
1,3-dimethyl-1-[1-(2-phenylethyl)piperidin-4-yl]urea
CID 91557912

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide (CID 16895752) is 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide is O=C(COc1ccccc1)NCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is NWUGLAKXWULXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-22(18-26-21-9-5-2-6-10-21)23-17-20-12-15-24(16-13-20)14-11-19-7-3-1-4-8-19/h1-10,20H,11-18H2,(H,23,25).
What are the key properties of 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide?
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 16895752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).