ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

C15H29N3O4 — CID 124907567

IUPACethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCN)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-5-21-13(19)17-9-6-12(7-10-17)18(11-8-16)14(20)22-15(2,3)4/h12H,5-11,16H2,1-4H3
InChIKeyCFLJEZPYYSGLEI-UHFFFAOYSA-N
MW315.41 g/mol
LogP1.80
Rot. Bonds4

About ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate

ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (PubChem CID 124907567) has the molecular formula C15H29N3O4 and a molecular weight of 315.41 g/mol. Its IUPAC name is ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
PubChem CID124907567
Molecular FormulaC15H29N3O4
Molecular Weight315.41 g/mol
Exact Mass315.22
IUPAC Nameethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCN)C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O4/c1-5-21-13(19)17-9-6-12(7-10-17)18(11-8-16)14(20)22-15(2,3)4/h12H,5-11,16H2,1-4H3
InChIKeyCFLJEZPYYSGLEI-UHFFFAOYSA-N
XLogP1.80
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-aminoethyl)-N-(oxan-4-yl)carbamate
CID 50986378
tert-butyl N-(1-aminopiperidin-4-yl)-N-propylcarbamate
CID 71276149
4-[(2-methylpropan-2-yl)oxycarbonyl-(2-oxoethyl)amino]piperidine-1-carboxylic acid
CID 91152983
ethyl 3-[cyclopentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 22397343
ethyl 1-[N-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156890
tert-butyl N-(3-aminopropyl)-N-(4-methylcyclohexyl)carbamate
CID 50987781
tert-butyl N-(2-aminoethyl)-N-(2-methylcyclohexyl)carbamate
CID 50987788
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
tert-butyl N-[1-(2-chloroacetyl)piperidin-4-yl]-N-ethylcarbamate
CID 66566153
ethyl 4-[acetyl-[3-(tert-butylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122153
ethyl 4-[N'-methyl-N-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111163945
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate (CID 124907567) is ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCN)C(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
The InChIKey is CFLJEZPYYSGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O4/c1-5-21-13(19)17-9-6-12(7-10-17)18(11-8-16)14(20)22-15(2,3)4/h12H,5-11,16H2,1-4H3.
What are the key properties of ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-aminoethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 124907567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).