tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate

C16H29NO5 — CID 177337295

IUPACtert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(OCC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO5/c1-6-20-13(14(18)21-7-2)12-8-10-17(11-9-12)15(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyWFFWZXXHHLBFLX-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate

tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 177337295) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID177337295
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Nametert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCOC(=O)C(OCC)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO5/c1-6-20-13(14(18)21-7-2)12-8-10-17(11-9-12)15(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3
InChIKeyWFFWZXXHHLBFLX-UHFFFAOYSA-N
XLogP2.60
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170993452
tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
tert-butyl 4-[1-(4-bromophenyl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
CID 121454620
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 177337295) is tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate is CCOC(=O)C(OCC)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is WFFWZXXHHLBFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-6-20-13(14(18)21-7-2)12-8-10-17(11-9-12)15(19)22-16(3,4)5/h12-13H,6-11H2,1-5H3.
What are the key properties of tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate?
tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 177337295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).