2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

C22H28N2O3 — CID 51324308

IUPAC2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17(2)24-14-12-18(13-15-24)23-22(25)16-26-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,23,25)
InChIKeyZBEATSAYMDICKF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds7

About 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide

2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 51324308) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID51324308
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17(2)24-14-12-18(13-15-24)23-22(25)16-26-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,23,25)
InChIKeyZBEATSAYMDICKF-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
CID 97214154
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]-2-(4-propoxyphenoxy)acetamide
CID 99808583
2-(4-methoxyphenoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]acetamide
CID 98726631
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-(4-methyl-2-oxochromen-7-yl)oxy-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 17447722
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 51324308) is 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(NC(=O)COc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is ZBEATSAYMDICKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(2)24-14-12-18(13-15-24)23-22(25)16-26-19-8-10-21(11-9-19)27-20-6-4-3-5-7-20/h3-11,17-18H,12-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide?
2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 51324308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).