tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate

C14H25FN2O4 — CID 175473736

IUPACtert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CNC1CCN(C(=O)OC(C)(C)C)C[C@H]1F
InChIInChI=1S/C14H25FN2O4/c1-5-20-12(18)8-16-11-6-7-17(9-10(11)15)13(19)21-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyUZPGHWLZRDNQLZ-NFJWQWPMSA-N
MW304.36 g/mol
LogP1.49
Rot. Bonds4

About tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate

tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate (PubChem CID 175473736) has the molecular formula C14H25FN2O4 and a molecular weight of 304.36 g/mol. Its IUPAC name is tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
PubChem CID175473736
Molecular FormulaC14H25FN2O4
Molecular Weight304.36 g/mol
Exact Mass304.18
IUPAC Nametert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
SMILESCCOC(=O)CNC1CCN(C(=O)OC(C)(C)C)C[C@H]1F
InChIInChI=1S/C14H25FN2O4/c1-5-20-12(18)8-16-11-6-7-17(9-10(11)15)13(19)21-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11?/m1/s1
InChIKeyUZPGHWLZRDNQLZ-NFJWQWPMSA-N
XLogP1.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(Boc-amino)-piperidin-1-yl]-acetic acid ethyl ester
CID 23565283
2-(4-{[(Tert-butoxy)carbonyl]amino}piperidin-1-yl)acetic acid
CID 18670180
tert-Butyl 4-[(2-methoxyethyl)amino]piperidine-1-carboxylate
CID 43652134
Tert-butyl 4-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]piperidine-1-carboxylate
CID 45791700
Tert-butyl 2-((1-(ethylcarbamoyl)piperidin-4-yl)amino)acetate
CID 75525019
tert-Butyl cis(+/-)-4-amino-3-(3-fluoropropoxy)piperidine-1-carboxylate
CID 86648652
tert-butyl (3S,4R)-4-amino-3-(3-fluoropropoxy)piperidine-1-carboxylate
CID 90737121
tert-butyl (3S,4R)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate
CID 91370461
tert-butyl (3S,4R)-3-fluoro-4-[[(3R)-oxolan-3-yl]amino]piperidine-1-carboxylate
CID 137434537
tert-butyl (3R,4S)-4-amino-3-(2-fluoroethoxy)piperidine-1-carboxylate
CID 140558044
tert-butyl (3S,4R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate
CID 153362080
Tert-butyl 4-[(3-ethoxy-2,2-difluoro-3-oxopropyl)amino]piperidine-1-carboxylate
CID 153362094

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate (CID 175473736) is tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate is CCOC(=O)CNC1CCN(C(=O)OC(C)(C)C)C[C@H]1F.
What is the InChIKey of tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate?
The InChIKey is UZPGHWLZRDNQLZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C14H25FN2O4/c1-5-20-12(18)8-16-11-6-7-17(9-10(11)15)13(19)21-14(2,3)4/h10-11,16H,5-9H2,1-4H3/t10-,11?/m1/s1.
What are the key properties of tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate?
tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate has a molecular weight of 304.36 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-[(2-ethoxy-2-oxoethyl)amino]-3-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 175473736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).