4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide

C26H29N3O3 — CID 86969635

IUPAC4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(CC(O)COc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O3/c27-26(31)22-6-10-23(11-7-22)29-16-14-28(15-17-29)18-24(30)19-32-25-12-8-21(9-13-25)20-4-2-1-3-5-20/h1-13,24,30H,14-19H2,(H2,27,31)
InChIKeyOGMNMEHFZQFVAO-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.01
Rot. Bonds8

About 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide

4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide (PubChem CID 86969635) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
PubChem CID86969635
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2CCN(CC(O)COc3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O3/c27-26(31)22-6-10-23(11-7-22)29-16-14-28(15-17-29)18-24(30)19-32-25-12-8-21(9-13-25)20-4-2-1-3-5-20/h1-13,24,30H,14-19H2,(H2,27,31)
InChIKeyOGMNMEHFZQFVAO-UHFFFAOYSA-N
XLogP3.01
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
CID 7060493
ethyl 4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]benzoate
CID 46664174
[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 3954727
[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]-phenylmethanone
CID 2147530
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-phenylphenoxy)propan-2-ol;hydrochloride
CID 16807134
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
1-[4-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-2-phenylethanone
CID 92856641
2-[4-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]phenol
CID 27732487
1-(4-ethylpiperazin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 3578916
4-[(2R)-2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]benzohydrazide
CID 39899728

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide (CID 86969635) is 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide is NC(=O)c1ccc(N2CCN(CC(O)COc3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide?
The InChIKey is OGMNMEHFZQFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c27-26(31)22-6-10-23(11-7-22)29-16-14-28(15-17-29)18-24(30)19-32-25-12-8-21(9-13-25)20-4-2-1-3-5-20/h1-13,24,30H,14-19H2,(H2,27,31).
What are the key properties of 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide?
4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide has a molecular weight of 431.54 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-hydroxy-3-(4-phenylphenoxy)propyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 86969635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).