tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

C15H26N2O5 — CID 75467174

IUPACtert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-10(13(19)21-5)16-12(18)11-8-6-7-9-17(11)14(20)22-15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,18)/t10-,11+/m0/s1
InChIKeyKGAOHEKSVXJUBS-WDEREUQCSA-N
MW314.38 g/mol
LogP1.45
Rot. Bonds3

About tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 75467174) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID75467174
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O5/c1-10(13(19)21-5)16-12(18)11-8-6-7-9-17(11)14(20)22-15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,18)/t10-,11+/m0/s1
InChIKeyKGAOHEKSVXJUBS-WDEREUQCSA-N
XLogP1.45
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 102295516
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tert-butyl (2R)-2-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate (CID 75467174) is tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate is COC(=O)[C@H](C)NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is KGAOHEKSVXJUBS-WDEREUQCSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-10(13(19)21-5)16-12(18)11-8-6-7-9-17(11)14(20)22-15(2,3)4/h10-11H,6-9H2,1-5H3,(H,16,18)/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 75467174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).