ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate

C14H26N2O3 — CID 79162765

IUPACethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-8-16(11-13(17)19-5-2)14(18)15-9-6-12(3)7-10-15/h12H,4-11H2,1-3H3
InChIKeyLAPFQEAYFWJALG-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.11
Rot. Bonds5

About ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate

ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate (PubChem CID 79162765) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
PubChem CID79162765
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)N1CCC(C)CC1
InChIInChI=1S/C14H26N2O3/c1-4-8-16(11-13(17)19-5-2)14(18)15-9-6-12(3)7-10-15/h12H,4-11H2,1-3H3
InChIKeyLAPFQEAYFWJALG-UHFFFAOYSA-N
XLogP2.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(4-methylcyclohexanecarbonyl)-propylamino]acetate
CID 79005878
(3R)-1-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]piperidine-3-carboxylic acid
CID 81119933
ethyl 2-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-propylamino]acetate
CID 87031091
ethyl 2-[(4-methylpiperidin-1-yl)sulfonyl-propylamino]acetate
CID 61006916
ethyl 2-[(2-cyclopentylacetyl)-propylamino]acetate
CID 54899097
4-methyl-N-propan-2-yl-N-propylpiperidine-1-carboxamide
CID 116654160
ethyl 2-[bicyclo[3.1.0]hexane-6-carbonyl(propyl)amino]acetate
CID 79796106
N-(4-aminocyclohexyl)-4-methyl-N-propylpiperidine-1-carboxamide
CID 79162762
methyl 2-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-propylamino]acetate
CID 62012533
(1S,6R)-6-[(2-ethoxy-2-oxoethyl)-propylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962318
ethyl 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetate
CID 78760579
4-methyl-N-(piperidin-2-ylmethyl)-N-propylpiperidine-1-carboxamide
CID 106629827

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate (CID 79162765) is ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)N1CCC(C)CC1.
What is the InChIKey of ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate?
The InChIKey is LAPFQEAYFWJALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-8-16(11-13(17)19-5-2)14(18)15-9-6-12(3)7-10-15/h12H,4-11H2,1-3H3.
What are the key properties of ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate?
ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate has a molecular weight of 270.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methylpiperidine-1-carbonyl)-propylamino]acetate is sourced from PubChem (CID 79162765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).