ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate

C15H23N3O3 — CID 11369870

IUPACethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(OCC)ccn2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-20-13-5-8-16-14(11-13)17-12-6-9-18(10-7-12)15(19)21-4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyKGIKZYZMTIMJTM-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.51
Rot. Bonds5

About ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate

ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate (PubChem CID 11369870) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate
PubChem CID11369870
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(OCC)ccn2)CC1
InChIInChI=1S/C15H23N3O3/c1-3-20-13-5-8-16-14(11-13)17-12-6-9-18(10-7-12)15(19)21-4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,17)
InChIKeyKGIKZYZMTIMJTM-UHFFFAOYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate (CID 11369870) is ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(OCC)ccn2)CC1.
What is the InChIKey of ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
The InChIKey is KGIKZYZMTIMJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-20-13-5-8-16-14(11-13)17-12-6-9-18(10-7-12)15(19)21-4-2/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,17).
What are the key properties of ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxy-2-pyridinyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 11369870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).