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

C10H18N2O4 — CID 112543137

IUPACmethyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
SMILESCOC(=O)NC1CC(C)CN(C(=O)OC)C1
InChIInChI=1S/C10H18N2O4/c1-7-4-8(11-9(13)15-2)6-12(5-7)10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyRUMYSEWGINECNB-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.82
Rot. Bonds1

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

methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate (PubChem CID 112543137) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
PubChem CID112543137
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
SMILESCOC(=O)NC1CC(C)CN(C(=O)OC)C1
InChIInChI=1S/C10H18N2O4/c1-7-4-8(11-9(13)15-2)6-12(5-7)10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyRUMYSEWGINECNB-UHFFFAOYSA-N
XLogP0.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl 3-ethyl-5-methylpiperidine-1-carboxylate
CID 172601898
methyl 3-[(2-methylcyclopropanecarbonyl)amino]azetidine-1-carboxylate
CID 86780329
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
tert-butyl (3S,5R)-3-methyl-5-(2,2,2-trichloroethoxycarbonylamino)piperidine-1-carboxylate
CID 143793103
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419
tert-butyl N-[1-(4-imino-2-methylpent-2-en-3-yl)-5-methylpiperidin-3-yl]carbamate
CID 123157765
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate (CID 112543137) is methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate is COC(=O)NC1CC(C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate?
The InChIKey is RUMYSEWGINECNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7-4-8(11-9(13)15-2)6-12(5-7)10(14)16-3/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate?
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 112543137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).