methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate

C12H22N2O5 — CID 112543786

IUPACmethyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CC(CCO)CN(C(=O)OC)C1
InChIInChI=1S/C12H22N2O5/c1-3-19-11(16)13-10-6-9(4-5-15)7-14(8-10)12(17)18-2/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyGPFODVKWWNIHRV-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.57
Rot. Bonds4

About methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate

methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 112543786) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
PubChem CID112543786
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Namemethyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
SMILESCCOC(=O)NC1CC(CCO)CN(C(=O)OC)C1
InChIInChI=1S/C12H22N2O5/c1-3-19-11(16)13-10-6-9(4-5-15)7-14(8-10)12(17)18-2/h9-10,15H,3-8H2,1-2H3,(H,13,16)
InChIKeyGPFODVKWWNIHRV-UHFFFAOYSA-N
XLogP0.57
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate (CID 112543786) is methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate is CCOC(=O)NC1CC(CCO)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is GPFODVKWWNIHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-3-19-11(16)13-10-6-9(4-5-15)7-14(8-10)12(17)18-2/h9-10,15H,3-8H2,1-2H3,(H,13,16).
What are the key properties of methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate?
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 112543786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).