ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate

C14H27N3O3 — CID 43445547

IUPACethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C14H27N3O3/c1-3-20-13(18)11-16-14(19)15-8-6-10-17-9-5-4-7-12(17)2/h12H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyLJMHSSLRLCXJTP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.11
Rot. Bonds7

About ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate

ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate (PubChem CID 43445547) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate
PubChem CID43445547
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCCCN1CCCCC1C
InChIInChI=1S/C14H27N3O3/c1-3-20-13(18)11-16-14(19)15-8-6-10-17-9-5-4-7-12(17)2/h12H,3-11H2,1-2H3,(H2,15,16,19)
InChIKeyLJMHSSLRLCXJTP-UHFFFAOYSA-N
XLogP1.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate (CID 43445547) is ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCCCN1CCCCC1C.
What is the InChIKey of ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate?
The InChIKey is LJMHSSLRLCXJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-20-13(18)11-16-14(19)15-8-6-10-17-9-5-4-7-12(17)2/h12H,3-11H2,1-2H3,(H2,15,16,19).
What are the key properties of ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate?
ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate has a molecular weight of 285.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]acetate is sourced from PubChem (CID 43445547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).