methyl 3-methoxypiperidine-3-carboxylate

C8H15NO3 — CID 165438540

IUPACmethyl 3-methoxypiperidine-3-carboxylate
SMILESCOC(=O)C1(OC)CCCNC1
InChIInChI=1S/C8H15NO3/c1-11-7(10)8(12-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyJKWWUJNPLDGBLK-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds2

About methyl 3-methoxypiperidine-3-carboxylate

methyl 3-methoxypiperidine-3-carboxylate (PubChem CID 165438540) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-methoxypiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxypiperidine-3-carboxylate
PubChem CID165438540
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-methoxypiperidine-3-carboxylate
SMILESCOC(=O)C1(OC)CCCNC1
InChIInChI=1S/C8H15NO3/c1-11-7(10)8(12-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3
InChIKeyJKWWUJNPLDGBLK-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxypiperidin-3-yl)ethanone
CID 165465441
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
methyl (3S)-3-methoxy-5-methylpiperidine-3-carboxylate
CID 178133237
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
1-(1-methoxycycloheptyl)ethanone
CID 83225564
oxetan-3-yl 3-methylpiperidine-3-carboxylate
CID 102606693
methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
methyl 2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 83906845
methyl (3S)-3-methoxyoxolane-3-carboxylate
CID 125113070
methyl 1-(2,2-difluoroethoxy)cyclopentane-1-carboxylate
CID 154169422

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxypiperidine-3-carboxylate?
The IUPAC name of methyl 3-methoxypiperidine-3-carboxylate (CID 165438540) is methyl 3-methoxypiperidine-3-carboxylate.
What is the SMILES notation for methyl 3-methoxypiperidine-3-carboxylate?
The canonical SMILES for methyl 3-methoxypiperidine-3-carboxylate is COC(=O)C1(OC)CCCNC1.
What is the InChIKey of methyl 3-methoxypiperidine-3-carboxylate?
The InChIKey is JKWWUJNPLDGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7(10)8(12-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3.
What are the key properties of methyl 3-methoxypiperidine-3-carboxylate?
methyl 3-methoxypiperidine-3-carboxylate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxypiperidine-3-carboxylate is sourced from PubChem (CID 165438540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).