[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

C20H21FN4O2 — CID 56891684

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN4O2/c21-15-3-5-16(6-4-15)23-17-2-1-10-25(12-17)20(26)19-8-7-18(27-19)13-24-11-9-22-14-24/h3-9,11,14,17,23H,1-2,10,12-13H2
InChIKeyBYJXNSURLRZRCW-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.38
Rot. Bonds5

About [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone

[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (PubChem CID 56891684) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
PubChem CID56891684
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
SMILESO=C(c1ccc(Cn2ccnc2)o1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN4O2/c21-15-3-5-16(6-4-15)23-17-2-1-10-25(12-17)20(26)19-8-7-18(27-19)13-24-11-9-22-14-24/h3-9,11,14,17,23H,1-2,10,12-13H2
InChIKeyBYJXNSURLRZRCW-UHFFFAOYSA-N
XLogP3.38
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone 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 [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone (CID 56891684) is [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is O=C(c1ccc(Cn2ccnc2)o1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
The InChIKey is BYJXNSURLRZRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-15-3-5-16(6-4-15)23-17-2-1-10-25(12-17)20(26)19-8-7-18(27-19)13-24-11-9-22-14-24/h3-9,11,14,17,23H,1-2,10,12-13H2.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone has a molecular weight of 368.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone is sourced from PubChem (CID 56891684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).