N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide

C28H33N3O3 — CID 24596406

IUPACN-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H33N3O3/c32-26(22-34-27-13-11-25(12-14-27)24-9-5-2-6-10-24)20-30-15-17-31(18-16-30)21-28(33)29-19-23-7-3-1-4-8-23/h1-14,26,32H,15-22H2,(H,29,33)
InChIKeyAEWYLEXJULULHG-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.03
Rot. Bonds10

About N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide

N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide (PubChem CID 24596406) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
PubChem CID24596406
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1)NCc1ccccc1
InChIInChI=1S/C28H33N3O3/c32-26(22-34-27-13-11-25(12-14-27)24-9-5-2-6-10-24)20-30-15-17-31(18-16-30)21-28(33)29-19-23-7-3-1-4-8-23/h1-14,26,32H,15-22H2,(H,29,33)
InChIKeyAEWYLEXJULULHG-UHFFFAOYSA-N
XLogP3.03
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 991009
N-(2-cyanoethyl)-2-[4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-1-yl]acetamide
CID 95324373
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]acetic acid
CID 119135376
1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 2938679
2-[4-[3-(4-bromophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-phenylacetamide
CID 46512603
1-(4-phenylphenoxy)-3-piperazin-1-ylpropan-2-ol
CID 54773385
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]-1,4-diazepan-1-yl]propan-1-one
CID 87021862
2-[4-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-propylacetamide
CID 32526909
N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide (CID 24596406) is N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide is O=C(CN1CCN(CC(O)COc2ccc(-c3ccccc3)cc2)CC1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide?
The InChIKey is AEWYLEXJULULHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c32-26(22-34-27-13-11-25(12-14-27)24-9-5-2-6-10-24)20-30-15-17-31(18-16-30)21-28(33)29-19-23-7-3-1-4-8-23/h1-14,26,32H,15-22H2,(H,29,33).
What are the key properties of N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide?
N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide has a molecular weight of 459.59 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 24596406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).