tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate

C20H36N2O4 — CID 169290062

IUPACtert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C)N1CCCC(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C20H36N2O4/c1-6-25-18(23)15(2)22-11-7-8-17(14-22)16-9-12-21(13-10-16)19(24)26-20(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyOLWDXFZMQKMKHZ-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate (PubChem CID 169290062) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
PubChem CID169290062
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nametert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C)N1CCCC(C2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C20H36N2O4/c1-6-25-18(23)15(2)22-11-7-8-17(14-22)16-9-12-21(13-10-16)19(24)26-20(3,4)5/h15-17H,6-14H2,1-5H3
InChIKeyOLWDXFZMQKMKHZ-UHFFFAOYSA-N
XLogP3.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
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tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
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tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
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CID 97300225

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate (CID 169290062) is tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate is CCOC(=O)C(C)N1CCCC(C2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate?
The InChIKey is OLWDXFZMQKMKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-6-25-18(23)15(2)22-11-7-8-17(14-22)16-9-12-21(13-10-16)19(24)26-20(3,4)5/h15-17H,6-14H2,1-5H3.
What are the key properties of tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate has a molecular weight of 368.52 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 169290062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).