methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate

C13H23NO5 — CID 20583450

IUPACmethyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate
SMILESCOCCOCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H23NO5/c1-17-9-10-19-8-5-12(15)14-6-3-11(4-7-14)13(16)18-2/h11H,3-10H2,1-2H3
InChIKeyJFSQRPNSIMVJDQ-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.45
Rot. Bonds7

About methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate

methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate (PubChem CID 20583450) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate
PubChem CID20583450
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namemethyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate
SMILESCOCCOCCC(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C13H23NO5/c1-17-9-10-19-8-5-12(15)14-6-3-11(4-7-14)13(16)18-2/h11H,3-10H2,1-2H3
InChIKeyJFSQRPNSIMVJDQ-UHFFFAOYSA-N
XLogP0.45
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 2758812
CID 2758812
CID 690430
CID 690430
CID 670003
CID 670003
CID 16641058
CID 16641058
CID 777600
CID 777600
CID 21470003
CID 21470003
CID 23084679
CID 23084679
CID 68328252
CID 68328252
CID 68735722
CID 68735722
CID 91728455
CID 91728455
CID 2973332
CID 2973332
CID 20081481
CID 20081481

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate (CID 20583450) is methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate is COCCOCCC(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate?
The InChIKey is JFSQRPNSIMVJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-17-9-10-19-8-5-12(15)14-6-3-11(4-7-14)13(16)18-2/h11H,3-10H2,1-2H3.
What are the key properties of methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate?
methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate has a molecular weight of 273.33 g/mol, XLogP of 0.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-methoxyethoxy)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 20583450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).