methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate

C12H22N2O2 — CID 69424198

IUPACmethyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-13-8-4-11(5-9-13)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyUSQJEXIAHILNJF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.72
Rot. Bonds3

About methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate

methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate (PubChem CID 69424198) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
PubChem CID69424198
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Namemethyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(N2CCCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-16-12(15)10-13-8-4-11(5-9-13)14-6-2-3-7-14/h11H,2-10H2,1H3
InChIKeyUSQJEXIAHILNJF-UHFFFAOYSA-N
XLogP0.72
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-piperazin-1-ylpiperidin-1-yl)acetate
CID 90717015
1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-one
CID 58870209
methyl 2-(4-bromopiperidin-1-yl)acetate
CID 156858791
[1,4'-Bipiperidine]-1'-aceticacid,potassiumsalt(1:1)
CID 70199542
N-(2-methoxyethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide;oxalic acid
CID 171700198
1-(4-piperidin-1-ylpiperidin-1-yl)pentan-2-one
CID 62044651
methyl 1-(2-methoxy-2-oxoethyl)pyrrolidine-3-carboxylate
CID 14235523
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
methyl 2-[10-(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]acetate
CID 22889204
3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
CID 58136099
methyl 2-[(3S)-3-aminopyrrolidin-1-yl]acetate
CID 94340238
methyl 2-(3-methoxypyrrolidin-1-yl)acetate
CID 103535132

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate (CID 69424198) is methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate is COC(=O)CN1CCC(N2CCCC2)CC1.
What is the InChIKey of methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate?
The InChIKey is USQJEXIAHILNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-16-12(15)10-13-8-4-11(5-9-13)14-6-2-3-7-14/h11H,2-10H2,1H3.
What are the key properties of methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate?
methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate has a molecular weight of 226.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrrolidin-1-ylpiperidin-1-yl)acetate is sourced from PubChem (CID 69424198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).