tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate

C18H34N2O3 — CID 97224551

IUPACtert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1
InChIInChI=1S/C18H34N2O3/c1-14(19-17(21)23-18(2,3)4)15-8-7-10-20(12-15)13-16-9-5-6-11-22-16/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,15+,16-/m0/s1
InChIKeyXXZASFVKUGEJAF-XHSDSOJGSA-N
MW326.48 g/mol
LogP3.18
Rot. Bonds4

About tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate

tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate (PubChem CID 97224551) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
PubChem CID97224551
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1
InChIInChI=1S/C18H34N2O3/c1-14(19-17(21)23-18(2,3)4)15-8-7-10-20(12-15)13-16-9-5-6-11-22-16/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,15+,16-/m0/s1
InChIKeyXXZASFVKUGEJAF-XHSDSOJGSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate with MolForge

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Related Compounds

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tert-butyl (2R)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
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tert-butyl (2S)-2-methyl-4-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carboxylate
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tert-butyl N-[1-[1-(1-ethylpiperidin-3-yl)ethylamino]-2-methylpropan-2-yl]carbamate
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tert-butyl N-[[(2R)-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidin-2-yl]methyl]carbamate
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tert-butyl (2S)-2-[[4-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidin-1-yl]methyl]pyrrolidine-1-carboxylate
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tert-butyl N-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]carbamate
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tert-butyl N-[(2S)-1-[[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]amino]-1-oxopropan-2-yl]carbamate
CID 129356138
tert-butyl N-[(1S)-1-[(3S)-1-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]pyrrolidin-3-yl]ethyl]carbamate
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(3S)-1-(oxan-2-ylmethyl)piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate (CID 97224551) is tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C[C@@H]2CCCCO2)C1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate?
The InChIKey is XXZASFVKUGEJAF-XHSDSOJGSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-14(19-17(21)23-18(2,3)4)15-8-7-10-20(12-15)13-16-9-5-6-11-22-16/h14-16H,5-13H2,1-4H3,(H,19,21)/t14-,15+,16-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(3R)-1-[[(2S)-oxan-2-yl]methyl]piperidin-3-yl]ethyl]carbamate is sourced from PubChem (CID 97224551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).