ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate

C19H32N2O5 — CID 94549769

IUPACethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C19H32N2O5/c1-5-25-17(23)15-9-7-10-20(13-15)16(22)14-8-6-11-21(12-14)18(24)26-19(2,3)4/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyAOQZBIVVUBDLEU-GJZGRUSLSA-N
MW368.47 g/mol
LogP2.44
Rot. Bonds3

About ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate

ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate (PubChem CID 94549769) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
PubChem CID94549769
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C19H32N2O5/c1-5-25-17(23)15-9-7-10-20(13-15)16(22)14-8-6-11-21(12-14)18(24)26-19(2,3)4/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1
InChIKeyAOQZBIVVUBDLEU-GJZGRUSLSA-N
XLogP2.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate (CID 94549769) is ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is AOQZBIVVUBDLEU-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-5-25-17(23)15-9-7-10-20(13-15)16(22)14-8-6-11-21(12-14)18(24)26-19(2,3)4/h14-15H,5-13H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate?
ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 94549769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).