tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate

C15H29N3O4 — CID 21103719

IUPACtert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6/h10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t10-,11+
InChIKeyIFULEBNOBLLOKS-PHIMTYICSA-N
MW315.41 g/mol
LogP1.77
Rot. Bonds2

About tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate

tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate (PubChem CID 21103719) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
PubChem CID21103719
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nametert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6/h10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t10-,11+
InChIKeyIFULEBNOBLLOKS-PHIMTYICSA-N
XLogP1.77
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate (CID 21103719) is tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNC[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate?
The InChIKey is IFULEBNOBLLOKS-PHIMTYICSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-14(2,3)21-12(19)17-10-7-11(9-16-8-10)18-13(20)22-15(4,5)6/h10-11,16H,7-9H2,1-6H3,(H,17,19)(H,18,20)/t10-,11+.
What are the key properties of tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate?
tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate is sourced from PubChem (CID 21103719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).