tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate

C23H43N3O4 — CID 18770396

IUPACtert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H43N3O4/c1-22(2,3)29-20(27)25-12-8-18(9-13-25)16-24(7)17-19-10-14-26(15-11-19)21(28)30-23(4,5)6/h18-19H,8-17H2,1-7H3
InChIKeyNPHHDXJRNPXRFP-UHFFFAOYSA-N
MW425.61 g/mol
LogP4.21
Rot. Bonds4

About tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 18770396) has the molecular formula C23H43N3O4 and a molecular weight of 425.61 g/mol. Its IUPAC name is tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate
PubChem CID18770396
Molecular FormulaC23H43N3O4
Molecular Weight425.61 g/mol
Exact Mass425.33
IUPAC Nametert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate
SMILESCN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H43N3O4/c1-22(2,3)29-20(27)25-12-8-18(9-13-25)16-24(7)17-19-10-14-26(15-11-19)21(28)30-23(4,5)6/h18-19H,8-17H2,1-7H3
InChIKeyNPHHDXJRNPXRFP-UHFFFAOYSA-N
XLogP4.21
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.61
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate (CID 18770396) is tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate is CN(CC1CCN(C(=O)OC(C)(C)C)CC1)CC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is NPHHDXJRNPXRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O4/c1-22(2,3)29-20(27)25-12-8-18(9-13-25)16-24(7)17-19-10-14-26(15-11-19)21(28)30-23(4,5)6/h18-19H,8-17H2,1-7H3.
What are the key properties of tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 425.61 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[methyl-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 18770396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).