tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate

C16H30N2O3 — CID 89049248

IUPACtert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)NC(C=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)17-13(11-19)12-7-9-18(10-8-12)14(20)21-16(4,5)6/h11-13,17H,7-10H2,1-6H3
InChIKeyBFPLXPIYEDZEAU-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.59
Rot. Bonds3

About tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 89049248) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID89049248
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate
SMILESCC(C)(C)NC(C=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30N2O3/c1-15(2,3)17-13(11-19)12-7-9-18(10-8-12)14(20)21-16(4,5)6/h11-13,17H,7-10H2,1-6H3
InChIKeyBFPLXPIYEDZEAU-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl 4-formylpiperidine-1-carboxylate;methanol
CID 162380340
tert-butyl 4-[cyclopropyl-(sulfanylamino)methyl]piperidine-1-carboxylate
CID 142509299
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(1S)-1-sulfanylethyl]piperidine-1-carboxylate
CID 97176087
tert-butyl 4-(1-amino-3-oxopropyl)piperidine-1-carboxylate
CID 88877258
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
bicyclo[2.2.0]hexane;tert-butyl 4-formylpiperidine-1-carboxylate
CID 174479814

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate (CID 89049248) is tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate is CC(C)(C)NC(C=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is BFPLXPIYEDZEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-15(2,3)17-13(11-19)12-7-9-18(10-8-12)14(20)21-16(4,5)6/h11-13,17H,7-10H2,1-6H3.
What are the key properties of tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-(tert-butylamino)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 89049248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).