2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide

C22H28N2O2 — CID 97214154

IUPAC2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-8-10-21(11-9-17)26-16-22(25)23-20-12-14-24(15-13-20)18(2)19-6-4-3-5-7-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyHHEQNYQLYAAHSE-SFHVURJKSA-N
MW352.48 g/mol
LogP3.72
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide

2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide (PubChem CID 97214154) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
PubChem CID97214154
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-17-8-10-21(11-9-17)26-16-22(25)23-20-12-14-24(15-13-20)18(2)19-6-4-3-5-7-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m0/s1
InChIKeyHHEQNYQLYAAHSE-SFHVURJKSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenoxyphenoxy)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51324308
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
ethyl 4-[[2-(4-phenylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 4009402
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide (CID 97214154) is 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide?
The InChIKey is HHEQNYQLYAAHSE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-8-10-21(11-9-17)26-16-22(25)23-20-12-14-24(15-13-20)18(2)19-6-4-3-5-7-19/h3-11,18,20H,12-16H2,1-2H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide?
2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[1-[(1S)-1-phenylethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 97214154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).