2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate

C20H36N2O7 — CID 142542047

IUPAC2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
SMILESCC(=O)CCC(=O)NCCOCCOCCOCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C20H36N2O7/c1-17-5-8-22(9-6-17)20(25)29-16-15-28-14-13-27-12-11-26-10-7-21-19(24)4-3-18(2)23/h17H,3-16H2,1-2H3,(H,21,24)
InChIKeyCMXRGRQSAPCBTM-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.39
Rot. Bonds15

About 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate

2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate (PubChem CID 142542047) has the molecular formula C20H36N2O7 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
PubChem CID142542047
Molecular FormulaC20H36N2O7
Molecular Weight416.52 g/mol
Exact Mass416.25
IUPAC Name2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
SMILESCC(=O)CCC(=O)NCCOCCOCCOCCOC(=O)N1CCC(C)CC1
InChIInChI=1S/C20H36N2O7/c1-17-5-8-22(9-6-17)20(25)29-16-15-28-14-13-27-12-11-26-10-7-21-19(24)4-3-18(2)23/h17H,3-16H2,1-2H3,(H,21,24)
InChIKeyCMXRGRQSAPCBTM-UHFFFAOYSA-N
XLogP1.39
TPSA103.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-sulfanylpiperidine-1-carboxylate
CID 142541755
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
ethane;2-[2-[2-[2-[2-(4-oxopentanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-sulfanylpiperidine-1-carboxylate
CID 142541989
2-(propylamino)ethyl 4-methylpiperidine-1-carboxylate
CID 79337921
N-[2-[2-(2-formamidoethoxy)ethoxy]ethyl]-4-oxopentanamide
CID 170054090
2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
CID 142541904
ethane;molecular hydrogen;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142541980
3-bromopropyl 4-methylpiperidine-1-carboxylate
CID 103970714
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[4-[(Z)-prop-1-enyl]sulfanylcyclohexyl]carbamate
CID 142541976
but-3-ynyl 4-methylpiperidine-1-carboxylate
CID 89002890
methane;molecular hydrogen;prop-1-ene;(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542023

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate?
The IUPAC name of 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate (CID 142542047) is 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate?
The canonical SMILES for 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate is CC(=O)CCC(=O)NCCOCCOCCOCCOC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate?
The InChIKey is CMXRGRQSAPCBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O7/c1-17-5-8-22(9-6-17)20(25)29-16-15-28-14-13-27-12-11-26-10-7-21-19(24)4-3-18(2)23/h17H,3-16H2,1-2H3,(H,21,24).
What are the key properties of 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate?
2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 1.39, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 142542047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).