methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate

C12H20N2O3 — CID 64617361

IUPACmethyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-2-4-14(5-3-10)11(15)6-9-7-13-8-9/h9-10,13H,2-8H2,1H3
InChIKeyXMPFCPXJLAWHBC-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.01
Rot. Bonds3

About methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate

methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 64617361) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID64617361
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CC2CNC2)CC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)10-2-4-14(5-3-10)11(15)6-9-7-13-8-9/h9-10,13H,2-8H2,1H3
InChIKeyXMPFCPXJLAWHBC-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-[2-(azetidin-3-yl)acetyl]-N-methylpiperidine-4-carboxamide
CID 64617367
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
methyl 1-(2-morpholin-2-ylacetyl)piperidine-4-carboxylate
CID 66433180
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
methyl 1-(3-piperidin-4-ylpropanoyl)piperidine-4-carboxylate
CID 62212418
2-(azetidin-3-yl)-1-(3-ethylpyrrolidin-1-yl)ethanone
CID 115740816
2-(azetidin-3-yl)-1-(4-tert-butylpiperidin-1-yl)ethanone
CID 64611021
methyl 2-[4-[2-(azetidin-3-yl)acetyl]piperazin-1-yl]acetate
CID 64611192
2-(azetidin-3-yl)-1-(3-methylpyrrolidin-1-yl)ethanone
CID 64611824
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]ethanesulfonamide
CID 64610162

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate (CID 64617361) is methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CC2CNC2)CC1.
What is the InChIKey of methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is XMPFCPXJLAWHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)10-2-4-14(5-3-10)11(15)6-9-7-13-8-9/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate?
methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(azetidin-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 64617361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).