tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate

C24H33N3O4 — CID 90394633

IUPACtert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate
SMILESCc1cc(N)nc(COc2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1
InChIInChI=1S/C24H33N3O4/c1-17-12-19(26-22(25)13-17)16-30-21-7-5-6-20(14-21)29-15-18-8-10-27(11-9-18)23(28)31-24(2,3)4/h5-7,12-14,18H,8-11,15-16H2,1-4H3,(H2,25,26)
InChIKeyDWUSUJRAWASOBM-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.58
Rot. Bonds6

About tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate

tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate (PubChem CID 90394633) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate
PubChem CID90394633
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Nametert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate
SMILESCc1cc(N)nc(COc2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1
InChIInChI=1S/C24H33N3O4/c1-17-12-19(26-22(25)13-17)16-30-21-7-5-6-20(14-21)29-15-18-8-10-27(11-9-18)23(28)31-24(2,3)4/h5-7,12-14,18H,8-11,15-16H2,1-4H3,(H2,25,26)
InChIKeyDWUSUJRAWASOBM-UHFFFAOYSA-N
XLogP4.58
TPSA86.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate (CID 90394633) is tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate is Cc1cc(N)nc(COc2cccc(OCC3CCN(C(=O)OC(C)(C)C)CC3)c2)c1.
What is the InChIKey of tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate?
The InChIKey is DWUSUJRAWASOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-17-12-19(26-22(25)13-17)16-30-21-7-5-6-20(14-21)29-15-18-8-10-27(11-9-18)23(28)31-24(2,3)4/h5-7,12-14,18H,8-11,15-16H2,1-4H3,(H2,25,26).
What are the key properties of tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[3-[(6-amino-4-methyl-2-pyridinyl)methoxy]phenoxy]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 90394633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).