N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

C23H25FN4O2 — CID 24791075

IUPACN-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C23H25FN4O2/c1-27-15-17(14-25-27)16-28-12-10-18(11-13-28)23(29)26-19-6-8-20(9-7-19)30-22-5-3-2-4-21(22)24/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,29)
InChIKeySCIAFHDMHLUBPL-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.20
Rot. Bonds6

About N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide

N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24791075) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24791075
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C23H25FN4O2/c1-27-15-17(14-25-27)16-28-12-10-18(11-13-28)23(29)26-19-6-8-20(9-7-19)30-22-5-3-2-4-21(22)24/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,29)
InChIKeySCIAFHDMHLUBPL-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
3-(4-fluorophenyl)-1-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide
CID 156138953
1-ethyl-3-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxopyrimidine-5-carboxamide
CID 156146469
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
(E)-3-[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]-N-[2-keto-2-(p-anisidino)ethyl]-N-methyl-acrylamide
CID 16546564
N-(3'-methoxy-4-biphenylyl)-1-[3-(1H-pyrazol-1-yl)propyl]-3-piperidinecarboxamide
CID 24790065
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791652
1-[(1-allyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidinecarboxamide
CID 24791778
1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)-4-piperidinecarboxamide
CID 24792988

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24791075) is N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1.
What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is SCIAFHDMHLUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27-15-17(14-25-27)16-28-12-10-18(11-13-28)23(29)26-19-6-8-20(9-7-19)30-22-5-3-2-4-21(22)24/h2-9,14-15,18H,10-13,16H2,1H3,(H,26,29).
What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).