1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

C23H25FN4O2 — CID 24818940

IUPAC1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F
InChIInChI=1S/C23H25FN4O2/c1-30-22-13-17(8-9-21(22)24)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(14-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyKEKNIEFKMHPULN-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.87
Rot. Bonds6

About 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide

1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (PubChem CID 24818940) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
PubChem CID24818940
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
SMILESCOc1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F
InChIInChI=1S/C23H25FN4O2/c1-30-22-13-17(8-9-21(22)24)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(14-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29)
InChIKeyKEKNIEFKMHPULN-UHFFFAOYSA-N
XLogP3.87
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10364238, Example 52
CID 121365123
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
2-[3-oxo-1-(3-phenoxybenzyl)-2-piperazinyl]-N-[3-(1H-pyrazol-1-yl)propyl]acetamide
CID 16190181
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
Sdccgsbi-0117357.P001
CID 24790440
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
1-[(1-methyl-1H-pyrazol-4-yl)methyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24794292
1-acetyl-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-piperidinecarboxamide
CID 24816617
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide
CID 24818983
1-(4-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819389

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide (CID 24818940) is 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is COc1cc(CN2CCCC(C(=O)Nc3cccc(-n4cccn4)c3)C2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
The InChIKey is KEKNIEFKMHPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-30-22-13-17(8-9-21(22)24)15-27-11-3-5-18(16-27)23(29)26-19-6-2-7-20(14-19)28-12-4-10-25-28/h2,4,6-10,12-14,18H,3,5,11,15-16H2,1H3,(H,26,29).
What are the key properties of 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide?
1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methoxyphenyl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24818940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).