methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate

C13H21NO4 — CID 121455373

IUPACmethyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate
SMILESCOC(=O)CC1(C2CCC(C(=O)OC)CN2)CC1
InChIInChI=1S/C13H21NO4/c1-17-11(15)7-13(5-6-13)10-4-3-9(8-14-10)12(16)18-2/h9-10,14H,3-8H2,1-2H3
InChIKeyQQOXRAKWXFDPIS-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.87
Rot. Bonds4

About methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate

methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate (PubChem CID 121455373) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate
PubChem CID121455373
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate
SMILESCOC(=O)CC1(C2CCC(C(=O)OC)CN2)CC1
InChIInChI=1S/C13H21NO4/c1-17-11(15)7-13(5-6-13)10-4-3-9(8-14-10)12(16)18-2/h9-10,14H,3-8H2,1-2H3
InChIKeyQQOXRAKWXFDPIS-UHFFFAOYSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl (3S,6R)-6-methylpiperidine-3-carboxylate;hydrochloride
CID 101043498
methyl 6-cyclopropylpiperidine-3-carboxylate
CID 83915093
acetic acid;methyl 6-methylpiperidine-3-carboxylate
CID 154942915
methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
CID 129388862
6-methoxycarbonylpiperidine-3-carboxylic acid
CID 19699657
methyl 5-carbamoylpiperidine-2-carboxylate
CID 130740109
methyl pyrrolidine-3-carboxylate
CID 4114360
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 6-(4-hydroxyphenyl)piperidine-3-carboxylate
CID 117168120

Frequently Asked Questions

What is the IUPAC name of methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate?
The IUPAC name of methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate (CID 121455373) is methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate is COC(=O)CC1(C2CCC(C(=O)OC)CN2)CC1.
What is the InChIKey of methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate?
The InChIKey is QQOXRAKWXFDPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-17-11(15)7-13(5-6-13)10-4-3-9(8-14-10)12(16)18-2/h9-10,14H,3-8H2,1-2H3.
What are the key properties of methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate?
methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[1-(2-methoxy-2-oxoethyl)cyclopropyl]piperidine-3-carboxylate is sourced from PubChem (CID 121455373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).