[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate

C18H28N4O3 — CID 89487995

IUPAC[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OC2CCN(c3ccc(OC)cn3)CC2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-20-10-12-22(13-11-20)18(23)25-15-6-8-21(9-7-15)17-5-4-16(24-2)14-19-17/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyHVSHNDSRSXJFGW-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.83
Rot. Bonds4

About [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate

[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate (PubChem CID 89487995) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate
PubChem CID89487995
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate
SMILESCCN1CCN(C(=O)OC2CCN(c3ccc(OC)cn3)CC2)CC1
InChIInChI=1S/C18H28N4O3/c1-3-20-10-12-22(13-11-20)18(23)25-15-6-8-21(9-7-15)17-5-4-16(24-2)14-19-17/h4-5,14-15H,3,6-13H2,1-2H3
InChIKeyHVSHNDSRSXJFGW-UHFFFAOYSA-N
XLogP1.83
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate?
The IUPAC name of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate (CID 89487995) is [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate?
The canonical SMILES for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate is CCN1CCN(C(=O)OC2CCN(c3ccc(OC)cn3)CC2)CC1.
What is the InChIKey of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate?
The InChIKey is HVSHNDSRSXJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-3-20-10-12-22(13-11-20)18(23)25-15-6-8-21(9-7-15)17-5-4-16(24-2)14-19-17/h4-5,14-15H,3,6-13H2,1-2H3.
What are the key properties of [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate?
[1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methoxy-2-pyridinyl)piperidin-4-yl] 4-ethylpiperazine-1-carboxylate is sourced from PubChem (CID 89487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).