(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate

C12H19NO4 — CID 121456446

IUPAC(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
SMILESCOC(=O)COC(=O)C1CCCN(C2CC2)C1
InChIInChI=1S/C12H19NO4/c1-16-11(14)8-17-12(15)9-3-2-6-13(7-9)10-4-5-10/h9-10H,2-8H2,1H3
InChIKeyTXWBZVKVUKCPDJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.58
Rot. Bonds4

About (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate

(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate (PubChem CID 121456446) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
PubChem CID121456446
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate
SMILESCOC(=O)COC(=O)C1CCCN(C2CC2)C1
InChIInChI=1S/C12H19NO4/c1-16-11(14)8-17-12(15)9-3-2-6-13(7-9)10-4-5-10/h9-10H,2-8H2,1H3
InChIKeyTXWBZVKVUKCPDJ-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-cyclopentylpiperidine-3-carboxylate
CID 62025944
ethyl 1-(4-ethylcyclohexyl)piperidine-3-carboxylate
CID 64775486
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylate
CID 12519345
methyl 1-piperidin-4-ylpiperidine-3-carboxylate
CID 44607682
ethyl (3R)-1-(3,5-dimethylcyclohexyl)piperidine-3-carboxylate
CID 115538019
ethyl (3R)-1-(4-methoxy-4-oxobutan-2-yl)piperidine-3-carboxylate
CID 113331162
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
CID 69424198
methyl 1-(oxolan-3-yl)piperidine-3-carboxylate
CID 115536991
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-3-carboxylate
CID 70943313
methyl 3-[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-3-oxopropanoate
CID 134069336
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate?
The IUPAC name of (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate (CID 121456446) is (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate is COC(=O)COC(=O)C1CCCN(C2CC2)C1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate?
The InChIKey is TXWBZVKVUKCPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-11(14)8-17-12(15)9-3-2-6-13(7-9)10-4-5-10/h9-10H,2-8H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate?
(2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 1-cyclopropylpiperidine-3-carboxylate is sourced from PubChem (CID 121456446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).