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

C26H34ClN3O — CID 11385992

IUPAC6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
InChIKeyOVYNZBZCWFALNG-UHFFFAOYSA-N
MW440.03 g/mol
LogP5.22
Rot. Bonds8

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

6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11385992) has the molecular formula C26H34ClN3O and a molecular weight of 440.03 g/mol. Its IUPAC name is 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11385992
Molecular FormulaC26H34ClN3O
Molecular Weight440.03 g/mol
Exact Mass439.24
IUPAC Name6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31)
InChIKeyOVYNZBZCWFALNG-UHFFFAOYSA-N
XLogP5.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11385992) is 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is O=C(CCCCCN1CCN(c2ccccc2Cl)CC1)NC1CCCc2ccccc21.
What is the InChIKey of 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is OVYNZBZCWFALNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O/c27-23-12-5-6-14-25(23)30-19-17-29(18-20-30)16-7-1-2-15-26(31)28-24-13-8-10-21-9-3-4-11-22(21)24/h3-6,9,11-12,14,24H,1-2,7-8,10,13,15-20H2,(H,28,31).
What are the key properties of 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 440.03 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11385992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).