6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide

C27H38N4O2 — CID 3932380

IUPAC6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C27H38N4O2/c28-16-9-3-8-14-26(32)31(23-25-12-6-2-7-13-25)17-15-27(33)30-20-18-29(19-21-30)22-24-10-4-1-5-11-24/h1-2,4-7,10-13H,3,8-9,14-23,28H2
InChIKeyWFMONIHMGHZZGC-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.27
Rot. Bonds12

About 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide

6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide (PubChem CID 3932380) has the molecular formula C27H38N4O2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
PubChem CID3932380
Molecular FormulaC27H38N4O2
Molecular Weight450.63 g/mol
Exact Mass450.30
IUPAC Name6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide
SMILESNCCCCCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1
InChIInChI=1S/C27H38N4O2/c28-16-9-3-8-14-26(32)31(23-25-12-6-2-7-13-25)17-15-27(33)30-20-18-29(19-21-30)22-24-10-4-1-5-11-24/h1-2,4-7,10-13H,3,8-9,14-23,28H2
InChIKeyWFMONIHMGHZZGC-UHFFFAOYSA-N
XLogP3.27
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.27
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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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-morpholin-4-yl-4-oxobutanamide
CID 120649496
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 113119116
1-(4-benzylpiperazin-1-yl)-3-[butyl(methyl)amino]propan-1-one
CID 109026864
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N,4-dibutylbenzamide
CID 42700275
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2-methyl-N-(2-phenylethyl)propanamide
CID 42699656
6-amino-N-benzyl-N-[3-(3,3-diphenylpropylamino)-3-oxopropyl]hexanamide
CID 4541760
1-benzyl-1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(4-nitrophenyl)urea
CID 3562244
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-cyclopropylacetamide
CID 113115363

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide?
The IUPAC name of 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide (CID 3932380) is 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide.
What is the SMILES notation for 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide?
The canonical SMILES for 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide is NCCCCCC(=O)N(CCC(=O)N1CCN(Cc2ccccc2)CC1)Cc1ccccc1.
What is the InChIKey of 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide?
The InChIKey is WFMONIHMGHZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2/c28-16-9-3-8-14-26(32)31(23-25-12-6-2-7-13-25)17-15-27(33)30-20-18-29(19-21-30)22-24-10-4-1-5-11-24/h1-2,4-7,10-13H,3,8-9,14-23,28H2.
What are the key properties of 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide?
6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide has a molecular weight of 450.63 g/mol, XLogP of 3.27, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]hexanamide is sourced from PubChem (CID 3932380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).