methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate

C10H18N2O4 — CID 112542985

IUPACmethyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(C)C1
InChIInChI=1S/C10H18N2O4/c1-12-5-7(9(13)15-2)4-8(6-12)11-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,14)
InChIKeyHBIBGDVMEKXHAS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds2

About methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate

methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate (PubChem CID 112542985) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
PubChem CID112542985
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(C)C1
InChIInChI=1S/C10H18N2O4/c1-12-5-7(9(13)15-2)4-8(6-12)11-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,14)
InChIKeyHBIBGDVMEKXHAS-UHFFFAOYSA-N
XLogP-0.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
methyl 1,4-dimethyl-1,4-diazepane-6-carboxylate
CID 118068295
methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
dimethyl (2S,4S)-1-methylpyrrolidine-2,4-dicarboxylate
CID 58854681
1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543589
1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582

Frequently Asked Questions

What is the IUPAC name of methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate (CID 112542985) is methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate is COC(=O)NC1CC(C(=O)OC)CN(C)C1.
What is the InChIKey of methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate?
The InChIKey is HBIBGDVMEKXHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12-5-7(9(13)15-2)4-8(6-12)11-10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,14).
What are the key properties of methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate?
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate has a molecular weight of 230.26 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 112542985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).