N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

C23H25FN4O — CID 24817692

IUPACN-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1
InChIInChI=1S/C23H25FN4O/c1-27-14-17(13-25-27)15-28-11-3-5-20(16-28)23(29)26-22-9-7-18(8-10-22)19-4-2-6-21(24)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyQEGXCBLWTMLRHF-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.08
Rot. Bonds5

About N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide

N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 24817692) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
PubChem CID24817692
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1
InChIInChI=1S/C23H25FN4O/c1-27-14-17(13-25-27)15-28-11-3-5-20(16-28)23(29)26-22-9-7-18(8-10-22)19-4-2-6-21(24)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyQEGXCBLWTMLRHF-UHFFFAOYSA-N
XLogP4.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide (CID 24817692) is N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is Cn1cc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1.
What is the InChIKey of N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is QEGXCBLWTMLRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-27-14-17(13-25-27)15-28-11-3-5-20(16-28)23(29)26-22-9-7-18(8-10-22)19-4-2-6-21(24)12-19/h2,4,6-10,12-14,20H,3,5,11,15-16H2,1H3,(H,26,29).
What are the key properties of N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide?
N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 24817692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).