tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate

C30H59N3O3 — CID 129286619

IUPACtert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C30H59N3O3/c1-6-8-10-12-14-16-18-21-31(22-19-17-15-13-11-9-7-2)23-20-28(34)32-24-26-33(27-25-32)29(35)36-30(3,4)5/h6-27H2,1-5H3
InChIKeyFGSLBERPCCQSMP-UHFFFAOYSA-N
MW509.82 g/mol
LogP7.26
Rot. Bonds19

About tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate

tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate (PubChem CID 129286619) has the molecular formula C30H59N3O3 and a molecular weight of 509.82 g/mol. Its IUPAC name is tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate
PubChem CID129286619
Molecular FormulaC30H59N3O3
Molecular Weight509.82 g/mol
Exact Mass509.46
IUPAC Nametert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate
SMILESCCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C30H59N3O3/c1-6-8-10-12-14-16-18-21-31(22-19-17-15-13-11-9-7-2)23-20-28(34)32-24-26-33(27-25-32)29(35)36-30(3,4)5/h6-27H2,1-5H3
InChIKeyFGSLBERPCCQSMP-UHFFFAOYSA-N
XLogP7.26
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-[3-hexanoyloxypropyl(nonyl)amino]ethyl]piperidine-1-carboxylate
CID 129286620
tert-butyl 4-[2-[nonyl-(4-oxo-4-pentoxybutyl)amino]ethyl]piperidine-1-carboxylate
CID 129293457
pentyl 4-[decyl-[4-[4-[4-[decyl-(4-oxo-4-pentoxybutyl)amino]butanoyl]piperazin-1-yl]-4-oxobutyl]amino]butanoate
CID 142498838
3-[di(nonyl)amino]propanal;3-[3-[di(nonyl)amino]propyl-nonylamino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 145405491
tert-butyl 3-[[di(nonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 129286225
tert-butyl 4-[2-[2-[di(nonyl)amino]acetyl]oxyethyl]piperidine-1-carboxylate
CID 142498833
tert-butyl 4-(hexylcarbamoyl)piperazine-1-carboxylate
CID 46743121
tert-butyl 4-(2-bromoacetyl)piperazine-1-carboxylate
CID 15829155
tert-butyl 3-[2-[(12-methoxy-12-oxododecyl)-tetradecylamino]ethyl]pyrrolidine-1-carboxylate
CID 142498928
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
tert-butyl azetidine-1-carboxylate;tetrabutylazanium
CID 162104509
3-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-octylamino]-N-phenylpropanamide
CID 78320406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate (CID 129286619) is tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate is CCCCCCCCCN(CCCCCCCCC)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate?
The InChIKey is FGSLBERPCCQSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H59N3O3/c1-6-8-10-12-14-16-18-21-31(22-19-17-15-13-11-9-7-2)23-20-28(34)32-24-26-33(27-25-32)29(35)36-30(3,4)5/h6-27H2,1-5H3.
What are the key properties of tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate?
tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate has a molecular weight of 509.82 g/mol, XLogP of 7.26, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[di(nonyl)amino]propanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 129286619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).