tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate

C15H28N2O4 — CID 130475488

IUPACtert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
SMILESCOC[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(10-20-5)13(18)17-8-6-7-12(9-17)16-14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyAITRQGDLWWLZSH-VXGBXAGGSA-N
MW300.40 g/mol
LogP1.78
Rot. Bonds4

About tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate

tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate (PubChem CID 130475488) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
PubChem CID130475488
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate
SMILESCOC[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-11(10-20-5)13(18)17-8-6-7-12(9-17)16-14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,19)/t11-,12-/m1/s1
InChIKeyAITRQGDLWWLZSH-VXGBXAGGSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
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tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
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tert-butyl N-(1-acetylazepan-4-yl)carbamate
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tert-butyl N-[(3S)-1-(prop-2-ynylcarbamoyl)piperidin-3-yl]carbamate
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ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
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tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
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tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
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tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
CID 146600918

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate (CID 130475488) is tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate is COC[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate?
The InChIKey is AITRQGDLWWLZSH-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-11(10-20-5)13(18)17-8-6-7-12(9-17)16-14(19)21-15(2,3)4/h11-12H,6-10H2,1-5H3,(H,16,19)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-[(2R)-3-methoxy-2-methylpropanoyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 130475488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).