2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide

C22H27ClN2O2 — CID 132658442

IUPAC2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)COc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-16-11-13-25(14-12-16)20-7-3-18(4-8-20)17(2)24-22(26)15-27-21-9-5-19(23)6-10-21/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)
InChIKeyDKFLEXQRZBPMNE-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide

2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide (PubChem CID 132658442) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
PubChem CID132658442
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
SMILESCC1CCN(c2ccc(C(C)NC(=O)COc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H27ClN2O2/c1-16-11-13-25(14-12-16)20-7-3-18(4-8-20)17(2)24-22(26)15-27-21-9-5-19(23)6-10-21/h3-10,16-17H,11-15H2,1-2H3,(H,24,26)
InChIKeyDKFLEXQRZBPMNE-UHFFFAOYSA-N
XLogP4.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 99993525
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-naphthalen-2-yloxyacetamide
CID 132661788
N-[1-(4-chlorophenyl)ethyl]-2-[4-(4-methylpiperidin-1-yl)sulfonylphenoxy]acetamide
CID 43873496
2-(4-chloro-2-fluorophenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 133187413
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758340
2-(4-ethylphenoxy)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132657062
N-[(1R)-1-(4-bromophenyl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 7948935
2-(2,4-dichlorophenoxy)-N-[(1R)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125042477
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 8579581
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2-(4-ethoxy-N-methylsulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43895634
2-(3,4-dimethylphenyl)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 132654687

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide (CID 132658442) is 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide is CC1CCN(c2ccc(C(C)NC(=O)COc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
The InChIKey is DKFLEXQRZBPMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-16-11-13-25(14-12-16)20-7-3-18(4-8-20)17(2)24-22(26)15-27-21-9-5-19(23)6-10-21/h3-10,16-17H,11-15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 132658442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).