6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

C26H35N3O2 — CID 11191128

IUPAC6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H35N3O2/c30-25-14-6-5-13-24(25)29-19-17-28(18-20-29)16-7-1-2-15-26(31)27-23-12-8-10-21-9-3-4-11-22(21)23/h3-6,9,11,13-14,23,30H,1-2,7-8,10,12,15-20H2,(H,27,31)
InChIKeyJYEKEEYIUIJIPG-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.27
Rot. Bonds8

About 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11191128) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11191128
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H35N3O2/c30-25-14-6-5-13-24(25)29-19-17-28(18-20-29)16-7-1-2-15-26(31)27-23-12-8-10-21-9-3-4-11-22(21)23/h3-6,9,11,13-14,23,30H,1-2,7-8,10,12,15-20H2,(H,27,31)
InChIKeyJYEKEEYIUIJIPG-UHFFFAOYSA-N
XLogP4.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11432177
N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2447572
5-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 11397799
4-(4-(2-methoxyphenyl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 11454449
N-benzhydryl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 2125905
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 2439113
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11168662
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11179914
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11341035
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11785995
N-(2-hydroxyphenyl)-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 12741880
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16329178

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11191128) is 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is O=C(CCCCCN1CCN(c2ccccc2O)CC1)NC1CCCc2ccccc21.
What is the InChIKey of 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is JYEKEEYIUIJIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c30-25-14-6-5-13-24(25)29-19-17-28(18-20-29)16-7-1-2-15-26(31)27-23-12-8-10-21-9-3-4-11-22(21)23/h3-6,9,11,13-14,23,30H,1-2,7-8,10,12,15-20H2,(H,27,31).
What are the key properties of 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 421.59 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11191128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).