N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride

C26H29ClN2O3 — CID 67281401

IUPACN-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1OCCN1CCCCC1)N(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C26H28N2O3.ClH/c29-23-15-13-22(14-16-23)28(21-9-3-1-4-10-21)26(30)24-11-5-6-12-25(24)31-20-19-27-17-7-2-8-18-27;/h1,3-6,9-16,29H,2,7-8,17-20H2;1H
InChIKeyYPZYAHFLXDZPIX-UHFFFAOYSA-N
MW452.98 g/mol
LogP5.66
Rot. Bonds7

About N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride

N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride (PubChem CID 67281401) has the molecular formula C26H29ClN2O3 and a molecular weight of 452.98 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride
PubChem CID67281401
Molecular FormulaC26H29ClN2O3
Molecular Weight452.98 g/mol
Exact Mass452.19
IUPAC NameN-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride
SMILESCl.O=C(c1ccccc1OCCN1CCCCC1)N(c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C26H28N2O3.ClH/c29-23-15-13-22(14-16-23)28(21-9-3-1-4-10-21)26(30)24-11-5-6-12-25(24)31-20-19-27-17-7-2-8-18-27;/h1,3-6,9-16,29H,2,7-8,17-20H2;1H
InChIKeyYPZYAHFLXDZPIX-UHFFFAOYSA-N
XLogP5.66
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.98
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis[2-[2-(azocan-1-yl)ethoxy]phenyl]ethane-1,2-dione
CID 21486308
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
2-(2-thiomorpholin-4-ylethoxy)benzoic acid
CID 43532595
2-[2-(4-methyl-1,4-diazepan-1-yl)ethoxy]benzoic acid
CID 43532589
2-[2-(1,4-oxazepan-4-yl)ethoxy]benzoic acid
CID 55134744
N-(4-hydroxyphenyl)-N-[4-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 118727033
2-[2-(4-methylazepan-1-yl)ethoxy]benzoic acid
CID 63622429
2-[2-(4-benzylpiperazin-1-yl)ethoxy]benzoic acid
CID 23009919
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 47014936

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The IUPAC name of N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride (CID 67281401) is N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride is Cl.O=C(c1ccccc1OCCN1CCCCC1)N(c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The InChIKey is YPZYAHFLXDZPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3.ClH/c29-23-15-13-22(14-16-23)28(21-9-3-1-4-10-21)26(30)24-11-5-6-12-25(24)31-20-19-27-17-7-2-8-18-27;/h1,3-6,9-16,29H,2,7-8,17-20H2;1H.
What are the key properties of N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride?
N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride has a molecular weight of 452.98 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-N-phenyl-2-(2-piperidin-1-ylethoxy)benzamide;hydrochloride is sourced from PubChem (CID 67281401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).