tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate

C21H32N2O4 — CID 18446887

IUPACtert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-14(2)19(24)22-16-7-8-18(26-6)17(13-16)15-9-11-23(12-10-15)20(25)27-21(3,4)5/h7-8,13-15H,9-12H2,1-6H3,(H,22,24)
InChIKeyQJIFOFQAWIHMAZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate

tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate (PubChem CID 18446887) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
PubChem CID18446887
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Nametert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate
SMILESCOc1ccc(NC(=O)C(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H32N2O4/c1-14(2)19(24)22-16-7-8-18(26-6)17(13-16)15-9-11-23(12-10-15)20(25)27-21(3,4)5/h7-8,13-15H,9-12H2,1-6H3,(H,22,24)
InChIKeyQJIFOFQAWIHMAZ-UHFFFAOYSA-N
XLogP4.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate (CID 18446887) is tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate is COc1ccc(NC(=O)C(C)C)cc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate?
The InChIKey is QJIFOFQAWIHMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-14(2)19(24)22-16-7-8-18(26-6)17(13-16)15-9-11-23(12-10-15)20(25)27-21(3,4)5/h7-8,13-15H,9-12H2,1-6H3,(H,22,24).
What are the key properties of tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate?
tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate has a molecular weight of 376.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-methoxy-5-(2-methylpropanoylamino)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 18446887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).