methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate

C11H19N3O5 — CID 112543811

IUPACmethyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)NC1CC(C(=O)OC)CN(C(N)=O)C1
InChIInChI=1S/C11H19N3O5/c1-3-19-11(17)13-8-4-7(9(15)18-2)5-14(6-8)10(12)16/h7-8H,3-6H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyOAWDRHYEQUYJRC-UHFFFAOYSA-N
MW273.29 g/mol
LogP-0.33
Rot. Bonds3

About methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate

methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate (PubChem CID 112543811) has the molecular formula C11H19N3O5 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
PubChem CID112543811
Molecular FormulaC11H19N3O5
Molecular Weight273.29 g/mol
Exact Mass273.13
IUPAC Namemethyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
SMILESCCOC(=O)NC1CC(C(=O)OC)CN(C(N)=O)C1
InChIInChI=1S/C11H19N3O5/c1-3-19-11(17)13-8-4-7(9(15)18-2)5-14(6-8)10(12)16/h7-8H,3-6H2,1-2H3,(H2,12,16)(H,13,17)
InChIKeyOAWDRHYEQUYJRC-UHFFFAOYSA-N
XLogP-0.33
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-carbamoyl-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112543814
methyl 1-(cyclobutylmethyl)-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112544101
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(2-trimethylsilylethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 11395541
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
ethyl 2-[1-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]acetate
CID 112544454
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
ethyl N-[1-(2-amino-2-oxoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112544185
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
CID 112542985
3-[1-carbamoyl-5-(methoxycarbonylamino)piperidin-3-yl]propanoic acid
CID 112543175

Frequently Asked Questions

What is the IUPAC name of methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The IUPAC name of methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate (CID 112543811) is methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate is CCOC(=O)NC1CC(C(=O)OC)CN(C(N)=O)C1.
What is the InChIKey of methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
The InChIKey is OAWDRHYEQUYJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-3-19-11(17)13-8-4-7(9(15)18-2)5-14(6-8)10(12)16/h7-8H,3-6H2,1-2H3,(H2,12,16)(H,13,17).
What are the key properties of methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate?
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate is sourced from PubChem (CID 112543811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).