methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate

C12H22N2O4 — CID 112543141

IUPACmethyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)NC1CC(C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-8(2)9-5-10(13-11(15)17-3)7-14(6-9)12(16)18-4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyMBLUNJSRJJMRFU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.46
Rot. Bonds2

About methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate

methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate (PubChem CID 112543141) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
PubChem CID112543141
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
SMILESCOC(=O)NC1CC(C(C)C)CN(C(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-8(2)9-5-10(13-11(15)17-3)7-14(6-9)12(16)18-4/h8-10H,5-7H2,1-4H3,(H,13,15)
InChIKeyMBLUNJSRJJMRFU-UHFFFAOYSA-N
XLogP1.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 112543144
methyl 3-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate
CID 83992232
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
methyl 3-(1-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxylate
CID 112542661
methyl (3aS,6aR)-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 143839287
methyl N-[5-(1-hydroxyethyl)-1-(3-methylbutanoyl)piperidin-3-yl]carbamate
CID 112543245
methyl N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112543520
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
propan-2-yl 3-(methoxycarbonylamino)pyrrolidine-1-carboxylate
CID 116657633
methyl 3-(2,2-difluoroethylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 83992933

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate (CID 112543141) is methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate is COC(=O)NC1CC(C(C)C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate?
The InChIKey is MBLUNJSRJJMRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)9-5-10(13-11(15)17-3)7-14(6-9)12(16)18-4/h8-10H,5-7H2,1-4H3,(H,13,15).
What are the key properties of methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate?
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 112543141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).