2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

C26H27ClN2O2 — CID 59691704

IUPAC2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-14-25(15-9-22)31-19-26(30)28-24-12-4-20(5-13-24)18-29-16-2-1-3-17-29/h4-15H,1-3,16-19H2,(H,28,30)
InChIKeyMHPRRIFCBPETQG-UHFFFAOYSA-N
MW434.97 g/mol
LogP6.01
Rot. Bonds7

About 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 59691704) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID59691704
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-14-25(15-9-22)31-19-26(30)28-24-12-4-20(5-13-24)18-29-16-2-1-3-17-29/h4-15H,1-3,16-19H2,(H,28,30)
InChIKeyMHPRRIFCBPETQG-UHFFFAOYSA-N
XLogP6.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

PD-172760
CID 9885114
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 1395053
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
2-(3,5-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2231395
2-(4-methylphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 5178598
N-(4-chlorophenyl)-2-(4-phenylphenoxy)propanamide
CID 4951707
7-[4-(4-Methoxy-phenyl)-piperidin-1-ylmethyl]-4H-benzo[1,4]oxazin-3-one
CID 10498196
N-(3-{1-[3-(4-Chlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756637
N-(3-{1-[4-(4-chlorophenoxy)benzyl]-4-piperidinyl}phenyl)-2-methylpropanamide
CID 16756642
2-(4-chlorophenyl)-N-(4-(3-morpholinopropoxy)phenyl)acetamide
CID 25014698
6-[[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 66717004

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (CID 59691704) is 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Nc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is MHPRRIFCBPETQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c27-23-10-6-21(7-11-23)22-8-14-25(15-9-22)31-19-26(30)28-24-12-4-20(5-13-24)18-29-16-2-1-3-17-29/h4-15H,1-3,16-19H2,(H,28,30).
What are the key properties of 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 434.97 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 59691704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).