4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide

C28H33N3O2 — CID 169271007

IUPAC4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cccc(O)c4)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O2/c1-3-15-29-28(33)24-11-13-26(14-12-24)31-18-16-30(17-19-31)21(2)22-7-9-23(10-8-22)25-5-4-6-27(32)20-25/h4-14,20-21,32H,3,15-19H2,1-2H3,(H,29,33)
InChIKeySJGVQTOULYJOMR-UHFFFAOYSA-N
MW443.59 g/mol
LogP5.08
Rot. Bonds7

About 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide

4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 169271007) has the molecular formula C28H33N3O2 and a molecular weight of 443.59 g/mol. Its IUPAC name is 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID169271007
Molecular FormulaC28H33N3O2
Molecular Weight443.59 g/mol
Exact Mass443.26
IUPAC Name4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cccc(O)c4)cc3)CC2)cc1
InChIInChI=1S/C28H33N3O2/c1-3-15-29-28(33)24-11-13-26(14-12-24)31-18-16-30(17-19-31)21(2)22-7-9-23(10-8-22)25-5-4-6-27(32)20-25/h4-14,20-21,32H,3,15-19H2,1-2H3,(H,29,33)
InChIKeySJGVQTOULYJOMR-UHFFFAOYSA-N
XLogP5.08
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantylmethylsulfonyl)-4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
CID 169273113
4-[4-[[4-(3-hydroxyphenyl)-2,6-dimethoxyphenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272324
4-[4-[3-fluoro-4-(3-hydroxyphenyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169272756
4-[4-[1-[4-(3-ethoxyphenyl)phenyl]ethyl]piperazin-1-yl]benzamide
CID 167167795
4-[4-[[3-(3-hydroxyphenyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169272158
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271315
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-[2-[4-[4-(propylcarbamoyl)phenyl]piperazin-1-yl]propyl]-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621444
4-[1-(4-phenylpiperazin-1-yl)ethyl]phenol
CID 82957492
4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271030
4-[4-[[4-(3-ethoxyphenyl)-3-fluorophenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169270928

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide (CID 169271007) is 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCN(C(C)c3ccc(-c4cccc(O)c4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is SJGVQTOULYJOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O2/c1-3-15-29-28(33)24-11-13-26(14-12-24)31-18-16-30(17-19-31)21(2)22-7-9-23(10-8-22)25-5-4-6-27(32)20-25/h4-14,20-21,32H,3,15-19H2,1-2H3,(H,29,33).
What are the key properties of 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide?
4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 443.59 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(3-hydroxyphenyl)phenyl]ethyl]piperazin-1-yl]-N-propylbenzamide is sourced from PubChem (CID 169271007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).