tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate

C18H26N2O5 — CID 164529973

IUPACtert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)24-15-11-12(16(21)23-4)5-6-14(15)19/h5-6,11,13H,7-10,19H2,1-4H3
InChIKeyHRTBAWUKLFRPKI-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate

tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate (PubChem CID 164529973) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
PubChem CID164529973
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nametert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate
SMILESCOC(=O)c1ccc(N)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C18H26N2O5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)24-15-11-12(16(21)23-4)5-6-14(15)19/h5-6,11,13H,7-10,19H2,1-4H3
InChIKeyHRTBAWUKLFRPKI-UHFFFAOYSA-N
XLogP2.83
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
tert-butyl 3-(2-ethyl-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 90730266
tert-butyl (3S)-3-(2-bromo-4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 122634557
tert-butyl 4-(4-amino-3-methylphenoxy)piperidine-1-carboxylate
CID 18542772
tert-butyl 4-(5-hydroxy-2-methoxycarbonylphenoxy)piperidine-1-carboxylate
CID 68532897
tert-butyl (3S)-3-(4-methoxycarbonylphenoxy)pyrrolidine-1-carboxylate
CID 58893828
tert-butyl 4-(5-amino-2-chlorophenoxy)piperidine-1-carboxylate
CID 171833683
methyl 4-amino-3-(1,1-dioxothiolan-3-yl)oxybenzoate
CID 54914653
tert-butyl (3S)-3-[4-methoxycarbonyl-2-(1-methylpyrazol-4-yl)phenoxy]pyrrolidine-1-carboxylate
CID 166087432
tert-butyl 4-(4-amino-2-propan-2-ylphenoxy)piperidine-1-carboxylate
CID 18542592
tert-butyl 4-[(2-amino-5-chloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 170715808
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate (CID 164529973) is tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate is COC(=O)c1ccc(N)c(OC2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate?
The InChIKey is HRTBAWUKLFRPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-18(2,3)25-17(22)20-9-7-13(8-10-20)24-15-11-12(16(21)23-4)5-6-14(15)19/h5-6,11,13H,7-10,19H2,1-4H3.
What are the key properties of tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate?
tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-amino-5-methoxycarbonylphenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 164529973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).