N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide

C30H37N3O — CID 134151729

IUPACN-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESC[C@H]1CN(c2ccccc2-c2ccccc2)CCN1CCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C30H37N3O/c1-25-24-33(29-18-11-10-17-28(29)27-15-7-3-8-16-27)22-21-32(25)20-12-4-9-19-30(34)31-23-26-13-5-2-6-14-26/h2-3,5-8,10-11,13-18,25H,4,9,12,19-24H2,1H3,(H,31,34)/t25-/m0/s1
InChIKeyGPICSZOLXGYSHL-VWLOTQADSA-N
MW455.65 g/mol
LogP5.74
Rot. Bonds10

About N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide

N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide (PubChem CID 134151729) has the molecular formula C30H37N3O and a molecular weight of 455.65 g/mol. Its IUPAC name is N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide.

Molecular Properties

Compound NameN-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide
PubChem CID134151729
Molecular FormulaC30H37N3O
Molecular Weight455.65 g/mol
Exact Mass455.29
IUPAC NameN-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide
SMILESC[C@H]1CN(c2ccccc2-c2ccccc2)CCN1CCCCCC(=O)NCc1ccccc1
InChIInChI=1S/C30H37N3O/c1-25-24-33(29-18-11-10-17-28(29)27-15-7-3-8-16-27)22-21-32(25)20-12-4-9-19-30(34)31-23-26-13-5-2-6-14-26/h2-3,5-8,10-11,13-18,25H,4,9,12,19-24H2,1H3,(H,31,34)/t25-/m0/s1
InChIKeyGPICSZOLXGYSHL-VWLOTQADSA-N
XLogP5.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.65
LogP ≤ 55.74
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 N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The IUPAC name of N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide (CID 134151729) is N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide.
What is the SMILES notation for N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The canonical SMILES for N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide is C[C@H]1CN(c2ccccc2-c2ccccc2)CCN1CCCCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
The InChIKey is GPICSZOLXGYSHL-VWLOTQADSA-N. The full InChI is InChI=1S/C30H37N3O/c1-25-24-33(29-18-11-10-17-28(29)27-15-7-3-8-16-27)22-21-32(25)20-12-4-9-19-30(34)31-23-26-13-5-2-6-14-26/h2-3,5-8,10-11,13-18,25H,4,9,12,19-24H2,1H3,(H,31,34)/t25-/m0/s1.
What are the key properties of N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide?
N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide has a molecular weight of 455.65 g/mol, XLogP of 5.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[(2S)-2-methyl-4-(2-phenylphenyl)piperazin-1-yl]hexanamide is sourced from PubChem (CID 134151729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).