tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate

C24H38N2O4 — CID 54060976

IUPACtert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate
SMILESCC(=O)CCCCCCNc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H38N2O4/c1-19(27)11-7-5-6-10-16-25-21-12-8-9-13-22(21)29-20-14-17-26(18-15-20)23(28)30-24(2,3)4/h8-9,12-13,20,25H,5-7,10-11,14-18H2,1-4H3
InChIKeyLZRHFCRGLQWAQD-UHFFFAOYSA-N
MW418.58 g/mol
LogP5.42
Rot. Bonds10

About tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate

tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate (PubChem CID 54060976) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate
PubChem CID54060976
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Nametert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate
SMILESCC(=O)CCCCCCNc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C24H38N2O4/c1-19(27)11-7-5-6-10-16-25-21-12-8-9-13-22(21)29-20-14-17-26(18-15-20)23(28)30-24(2,3)4/h8-9,12-13,20,25H,5-7,10-11,14-18H2,1-4H3
InChIKeyLZRHFCRGLQWAQD-UHFFFAOYSA-N
XLogP5.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.58
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-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-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-[2-[(4-methoxy-4-oxobutyl)amino]phenyl]piperidine-1-carboxylate
CID 22622368
tert-butyl 3-[2-[(2-cyanoacetyl)amino]phenoxy]pyrrolidine-1-carboxylate
CID 168522404
tert-butyl 3-[2-(1,2,2-tricyanoethenylamino)phenoxy]pyrrolidine-1-carboxylate
CID 168608751
tert-butyl 4-quinolin-5-yloxypiperidine-1-carboxylate
CID 170614892
tert-butyl 4-[2-[4-(4-methoxyphenyl)butyl]phenoxy]piperidine-1-carboxylate
CID 139719915
tert-butyl 4-[2-[(4-chloro-2-fluorophenyl)methyl]phenoxy]piperidine-1-carboxylate
CID 167388812
tert-butyl 4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxynaphthalen-1-yl]piperazine-1-carboxylate
CID 130367060
tert-butyl 4-[2-[2-(dicyanomethylidene)hydrazinyl]-4-fluorophenoxy]piperidine-1-carboxylate
CID 169339798
tert-butyl 4-[5-methoxy-2-[[2-[(4-methoxybenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 91306872
tert-butyl 4-[2-(acetyloxymethyl)-4-fluorophenoxy]piperidine-1-carboxylate
CID 67528811
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate (CID 54060976) is tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate is CC(=O)CCCCCCNc1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate?
The InChIKey is LZRHFCRGLQWAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-19(27)11-7-5-6-10-16-25-21-12-8-9-13-22(21)29-20-14-17-26(18-15-20)23(28)30-24(2,3)4/h8-9,12-13,20,25H,5-7,10-11,14-18H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate?
tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate has a molecular weight of 418.58 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(7-oxooctylamino)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 54060976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).