ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

C15H28N2O3 — CID 78913541

IUPACethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-20-14(19)12-9-7-8-10-17(12)11(2)13(18)16-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyMNVDZGRVLLMTLQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds4

About ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (PubChem CID 78913541) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
PubChem CID78913541
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-6-20-14(19)12-9-7-8-10-17(12)11(2)13(18)16-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyMNVDZGRVLLMTLQ-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028386
ethyl 1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 78912886
ethyl 1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539233
methyl (2S)-1-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 129133775
ethyl 1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-2-carboxylate
CID 115539289
methyl (2R)-1-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate
CID 115537909
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
ethyl 1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]pyrrolidine-2-carboxylate
CID 62028568
ethyl 1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62028384
N-tert-butyl-2-[2-(2-hydroxypropyl)azepan-1-yl]propanamide
CID 114338889
methyl (2R)-1-[1-oxo-1-(propylamino)propan-2-yl]piperidine-2-carboxylate
CID 115537824
tert-butyl (2S)-1-(1-ethoxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylate
CID 115537254

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate (CID 78913541) is ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(C)C(=O)NC(C)(C)C.
What is the InChIKey of ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
The InChIKey is MNVDZGRVLLMTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-6-20-14(19)12-9-7-8-10-17(12)11(2)13(18)16-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate?
ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(tert-butylamino)-1-oxopropan-2-yl]piperidine-2-carboxylate is sourced from PubChem (CID 78913541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).