tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate

C20H33N5O3 — CID 89451428

IUPACtert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CN(Cc3ccncc3N)CCO2)CC1
InChIInChI=1S/C20H33N5O3/c1-20(2,3)28-19(26)25-8-6-23(7-9-25)14-17-15-24(10-11-27-17)13-16-4-5-22-12-18(16)21/h4-5,12,17H,6-11,13-15,21H2,1-3H3
InChIKeyVDHSBFHAPDKPIL-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.42
Rot. Bonds4

About tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate

tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate (PubChem CID 89451428) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate
PubChem CID89451428
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Nametert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(CC2CN(Cc3ccncc3N)CCO2)CC1
InChIInChI=1S/C20H33N5O3/c1-20(2,3)28-19(26)25-8-6-23(7-9-25)14-17-15-24(10-11-27-17)13-16-4-5-22-12-18(16)21/h4-5,12,17H,6-11,13-15,21H2,1-3H3
InChIKeyVDHSBFHAPDKPIL-UHFFFAOYSA-N
XLogP1.42
TPSA84.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl acetate
CID 89443070
tert-butyl 4-[2-[(3-amino-4-pyridinyl)methylamino]ethyl]piperazine-1-carboxylate
CID 90413831
tert-butyl 4-[2-(4-methyl-3-pyridinyl)ethyl]piperazine-1-carboxylate
CID 172908006
tert-butyl 4-(4-methyl-3-pyridinyl)piperazine-1-carboxylate
CID 70570904
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
1-benzyl-4-(oxiran-2-ylmethyl)piperazine;tert-butyl 4-[[(2R)-oxiran-2-yl]methyl]piperazine-1-carboxylate;tert-butyl 4-[[(2S)-oxiran-2-yl]methyl]piperazine-1-carboxylate
CID 162093715
tert-butyl 4-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxylate
CID 99646556
tert-butyl 4-[(5-amino-2-methylphenyl)methyl]piperazine-1-carboxylate
CID 68628215
tert-butyl 4-[(2,5-dimethyl-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 140551070
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 175792734
tert-butyl 4-[(2-amino-5-fluorophenyl)methyl]piperazine-1-carboxylate
CID 104933477
tert-butyl 4-[(2-amino-5-cyclopropylphenyl)methyl]piperazine-1-carboxylate
CID 146037472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate (CID 89451428) is tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(CC2CN(Cc3ccncc3N)CCO2)CC1.
What is the InChIKey of tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate?
The InChIKey is VDHSBFHAPDKPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-20(2,3)28-19(26)25-8-6-23(7-9-25)14-17-15-24(10-11-27-17)13-16-4-5-22-12-18(16)21/h4-5,12,17H,6-11,13-15,21H2,1-3H3.
What are the key properties of tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate?
tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate has a molecular weight of 391.52 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(3-amino-4-pyridinyl)methyl]morpholin-2-yl]methyl]piperazine-1-carboxylate is sourced from PubChem (CID 89451428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).