ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

C13H24N2O5 — CID 112543799

IUPACethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CC(C(C)O)CN(C(=O)OCC)C1
InChIInChI=1S/C13H24N2O5/c1-4-19-12(17)14-11-6-10(9(3)16)7-15(8-11)13(18)20-5-2/h9-11,16H,4-8H2,1-3H3,(H,14,17)
InChIKeyYILSTIYUNKDGAZ-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.96
Rot. Bonds4

About ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate

ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 112543799) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID112543799
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nameethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CC(C(C)O)CN(C(=O)OCC)C1
InChIInChI=1S/C13H24N2O5/c1-4-19-12(17)14-11-6-10(9(3)16)7-15(8-11)13(18)20-5-2/h9-11,16H,4-8H2,1-3H3,(H,14,17)
InChIKeyYILSTIYUNKDGAZ-UHFFFAOYSA-N
XLogP0.96
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylcyclobutyl)piperidin-3-yl]carbamate
CID 112544046
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate (CID 112543799) is ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is CCOC(=O)NC1CC(C(C)O)CN(C(=O)OCC)C1.
What is the InChIKey of ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is YILSTIYUNKDGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-4-19-12(17)14-11-6-10(9(3)16)7-15(8-11)13(18)20-5-2/h9-11,16H,4-8H2,1-3H3,(H,14,17).
What are the key properties of ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate?
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 112543799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).