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

C27H34N4O — CID 11248332

IUPAC6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESN#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C27H34N4O/c28-21-23-10-4-6-14-26(23)31-19-17-30(18-20-31)16-7-1-2-15-27(32)29-25-13-8-11-22-9-3-5-12-24(22)25/h3-6,9-10,12,14,25H,1-2,7-8,11,13,15-20H2,(H,29,32)
InChIKeyGKCVNAHJIZRKPK-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.43
Rot. Bonds8

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

6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11248332) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11248332
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESN#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C27H34N4O/c28-21-23-10-4-6-14-26(23)31-19-17-30(18-20-31)16-7-1-2-15-27(32)29-25-13-8-11-22-9-3-5-12-24(22)25/h3-6,9-10,12,14,25H,1-2,7-8,11,13,15-20H2,(H,29,32)
InChIKeyGKCVNAHJIZRKPK-UHFFFAOYSA-N
XLogP4.43
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11248332) is 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is N#Cc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is GKCVNAHJIZRKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c28-21-23-10-4-6-14-26(23)31-19-17-30(18-20-31)16-7-1-2-15-27(32)29-25-13-8-11-22-9-3-5-12-24(22)25/h3-6,9-10,12,14,25H,1-2,7-8,11,13,15-20H2,(H,29,32).
What are the key properties of 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 430.60 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyanophenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11248332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).