N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide

C16H19FN4O2 — CID 119860278

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CCNCC1
InChIInChI=1S/C16H19FN4O2/c1-23-16(4-6-18-7-5-16)15(22)20-12-2-3-14(13(17)10-12)21-9-8-19-11-21/h2-3,8-11,18H,4-7H2,1H3,(H,20,22)
InChIKeySOKTUFYIJICSGF-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.72
Rot. Bonds4

About N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119860278) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119860278
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CCNCC1
InChIInChI=1S/C16H19FN4O2/c1-23-16(4-6-18-7-5-16)15(22)20-12-2-3-14(13(17)10-12)21-9-8-19-11-21/h2-3,8-11,18H,4-7H2,1H3,(H,20,22)
InChIKeySOKTUFYIJICSGF-UHFFFAOYSA-N
XLogP1.72
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide (CID 119860278) is N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)CCNCC1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is SOKTUFYIJICSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-23-16(4-6-18-7-5-16)15(22)20-12-2-3-14(13(17)10-12)21-9-8-19-11-21/h2-3,8-11,18H,4-7H2,1H3,(H,20,22).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119860278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).