methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate

C12H22N2O4 — CID 112543484

IUPACmethyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NC(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-9-6-10(13-12(16)18-3)8-14(7-9)5-4-11(15)17-2/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyBNNQMXIZNFALBX-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.62
Rot. Bonds4

About methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate

methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate (PubChem CID 112543484) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
PubChem CID112543484
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NC(=O)OC)C1
InChIInChI=1S/C12H22N2O4/c1-9-6-10(13-12(16)18-3)8-14(7-9)5-4-11(15)17-2/h9-10H,4-8H2,1-3H3,(H,13,16)
InChIKeyBNNQMXIZNFALBX-UHFFFAOYSA-N
XLogP0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
1-(2-carboxyethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylic acid
CID 112543481
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
methyl 2-[1-(2-aminoethyl)-5-(methoxycarbonylamino)piperidin-3-yl]acetate
CID 112543593
methyl 2-[3-methyl-5-(methylamino)piperidin-1-yl]acetate
CID 83990030
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
methyl N-[1-[(2-fluorophenyl)methyl]-5-methylpiperidin-3-yl]carbamate
CID 112543111
methyl 3-[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]propanoate
CID 129374649
methyl 2-[3-(ethylamino)-5-methylpiperidin-1-yl]acetate
CID 83990662

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate (CID 112543484) is methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate is COC(=O)CCN1CC(C)CC(NC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate?
The InChIKey is BNNQMXIZNFALBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-9-6-10(13-12(16)18-3)8-14(7-9)5-4-11(15)17-2/h9-10H,4-8H2,1-3H3,(H,13,16).
What are the key properties of methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate?
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate has a molecular weight of 258.32 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate is sourced from PubChem (CID 112543484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).