N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide

C18H26FN3O2 — CID 146330087

IUPACN-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(F)n2)CC1)C1CCOCC1
InChIInChI=1S/C18H26FN3O2/c19-17-3-1-2-16(21-17)14-4-9-22(10-5-14)11-8-20-18(23)15-6-12-24-13-7-15/h1-3,14-15H,4-13H2,(H,20,23)
InChIKeyBUJBIVXDBXZHAP-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.94
Rot. Bonds5

About N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide

N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide (PubChem CID 146330087) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
PubChem CID146330087
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide
SMILESO=C(NCCN1CCC(c2cccc(F)n2)CC1)C1CCOCC1
InChIInChI=1S/C18H26FN3O2/c19-17-3-1-2-16(21-17)14-4-9-22(10-5-14)11-8-20-18(23)15-6-12-24-13-7-15/h1-3,14-15H,4-13H2,(H,20,23)
InChIKeyBUJBIVXDBXZHAP-UHFFFAOYSA-N
XLogP1.94
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

US10800755, Example 12
CID 142429255
US10800755, Example 1
CID 142429260
US10800755, Example 14
CID 146329996
US10800755, Example 19
CID 146330084
US10800755, Example 4
CID 155922396
1-(2-fluorobenzyl)-N-[(6-methyl-2-pyridinyl)methyl]-6-oxo-3-piperidinecarboxamide
CID 24794330
US10800755, Example 11
CID 142429261
US10800755, Example 9
CID 142429268
US10800755, Example 16
CID 142429276
US10800755, Example 34
CID 146329998
US10800755, Example 27
CID 146330085
US10800755, Example 21
CID 146330153

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide (CID 146330087) is N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide is O=C(NCCN1CCC(c2cccc(F)n2)CC1)C1CCOCC1.
What is the InChIKey of N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
The InChIKey is BUJBIVXDBXZHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c19-17-3-1-2-16(21-17)14-4-9-22(10-5-14)11-8-20-18(23)15-6-12-24-13-7-15/h1-3,14-15H,4-13H2,(H,20,23).
What are the key properties of N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide?
N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide has a molecular weight of 335.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(6-fluoro-2-pyridinyl)piperidin-1-yl]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 146330087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).