ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate

C16H30N2O5 — CID 175559350

IUPACethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1CCOC
InChIInChI=1S/C16H30N2O5/c1-6-22-14(19)13-8-7-12(11-18(13)9-10-21-5)17-15(20)23-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeySBUTXHSJFGRDDR-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.55
Rot. Bonds6

About ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate

ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate (PubChem CID 175559350) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
PubChem CID175559350
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nameethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1CCOC
InChIInChI=1S/C16H30N2O5/c1-6-22-14(19)13-8-7-12(11-18(13)9-10-21-5)17-15(20)23-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,20)
InChIKeySBUTXHSJFGRDDR-UHFFFAOYSA-N
XLogP1.55
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-(2-methoxyethyl)aziridine-2-carboxylate
CID 102511677
tert-butyl N-[4-(2-methoxyethoxyamino)cyclohexyl]carbamate
CID 82715215
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
tert-butyl N-[(3S)-1-(4-methoxybutanoyl)pyrrolidin-3-yl]carbamate
CID 171063625
ethyl 2-[(2S)-1-[(4-methoxyphenyl)methyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetate
CID 70954306
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
1-O-tert-butyl 2-O-ethyl (2R,5R)-5-methylpyrrolidine-1,2-dicarboxylate
CID 124561971
ethyl 2-[(2R,5R)-1-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetate
CID 86624144
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate (CID 175559350) is ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate is CCOC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1CCOC.
What is the InChIKey of ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The InChIKey is SBUTXHSJFGRDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-6-22-14(19)13-8-7-12(11-18(13)9-10-21-5)17-15(20)23-16(2,3)4/h12-13H,6-11H2,1-5H3,(H,17,20).
What are the key properties of ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate is sourced from PubChem (CID 175559350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).