ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate

C14H26N2O3 — CID 112554499

IUPACethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CC(OCC)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-3-18-13-9-12(10-13)15-11-5-7-16(8-6-11)14(17)19-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyRXBIWMKZNMMPLQ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.76
Rot. Bonds5

About ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate

ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate (PubChem CID 112554499) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
PubChem CID112554499
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2CC(OCC)C2)CC1
InChIInChI=1S/C14H26N2O3/c1-3-18-13-9-12(10-13)15-11-5-7-16(8-6-11)14(17)19-4-2/h11-13,15H,3-10H2,1-2H3
InChIKeyRXBIWMKZNMMPLQ-UHFFFAOYSA-N
XLogP1.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate (CID 112554499) is ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2CC(OCC)C2)CC1.
What is the InChIKey of ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The InChIKey is RXBIWMKZNMMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-18-13-9-12(10-13)15-11-5-7-16(8-6-11)14(17)19-4-2/h11-13,15H,3-10H2,1-2H3.
What are the key properties of ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 112554499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).