N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide

C26H37N3O4 — CID 54131410

IUPACN-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H37N3O4/c1-3-4-5-14-26(31)27-22-10-6-8-12-24(22)33-20-21(30)19-28-15-17-29(18-16-28)23-11-7-9-13-25(23)32-2/h6-13,21,30H,3-5,14-20H2,1-2H3,(H,27,31)
InChIKeyNUQDWLUOKQJIMU-UHFFFAOYSA-N
MW455.60 g/mol
LogP3.78
Rot. Bonds12

About N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide

N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide (PubChem CID 54131410) has the molecular formula C26H37N3O4 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide.

Molecular Properties

Compound NameN-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
PubChem CID54131410
Molecular FormulaC26H37N3O4
Molecular Weight455.60 g/mol
Exact Mass455.28
IUPAC NameN-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C26H37N3O4/c1-3-4-5-14-26(31)27-22-10-6-8-12-24(22)33-20-21(30)19-28-15-17-29(18-16-28)23-11-7-9-13-25(23)32-2/h6-13,21,30H,3-5,14-20H2,1-2H3,(H,27,31)
InChIKeyNUQDWLUOKQJIMU-UHFFFAOYSA-N
XLogP3.78
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.60
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317
(2R)-1-(2-fluorophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1033127
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
methyl N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]carbamate
CID 102504727
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-propan-2-yloxyphenyl)propanamide
CID 109029549
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-3-phenylpropan-1-one;hydrochloride
CID 57391044
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide?
The IUPAC name of N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide (CID 54131410) is N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide.
What is the SMILES notation for N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide?
The canonical SMILES for N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide is CCCCCC(=O)Nc1ccccc1OCC(O)CN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide?
The InChIKey is NUQDWLUOKQJIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O4/c1-3-4-5-14-26(31)27-22-10-6-8-12-24(22)33-20-21(30)19-28-15-17-29(18-16-28)23-11-7-9-13-25(23)32-2/h6-13,21,30H,3-5,14-20H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide?
N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide has a molecular weight of 455.60 g/mol, XLogP of 3.78, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]hexanamide is sourced from PubChem (CID 54131410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).