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

C25H29FN4O2 — CID 24791652

IUPACN-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C25H29FN4O2/c1-18(2)30-17-19(15-27-30)16-29-13-11-20(12-14-29)25(31)28-21-7-9-22(10-8-21)32-24-6-4-3-5-23(24)26/h3-10,15,17-18,20H,11-14,16H2,1-2H3,(H,28,31)
InChIKeyROIWSBGTSPVISQ-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.25
Rot. Bonds7

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

N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24791652) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24791652
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC NameN-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCC(C)n1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C25H29FN4O2/c1-18(2)30-17-19(15-27-30)16-29-13-11-20(12-14-29)25(31)28-21-7-9-22(10-8-21)32-24-6-4-3-5-23(24)26/h3-10,15,17-18,20H,11-14,16H2,1-2H3,(H,28,31)
InChIKeyROIWSBGTSPVISQ-UHFFFAOYSA-N
XLogP5.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(1,3-dimethylpyrazol-4-yl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 6888069
4-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-3,5-dioxo-2-propan-2-yl-1,2,4-triazine-6-carboxamide
CID 156138583
3-(4-fluorophenyl)-N-[4-[[3-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 156138905
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
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 24791075
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
N-(4-methoxyphenyl)-1-[3-(1H-pyrazol-1-yl)propanoyl]-3-piperidinamine
CID 24816914
N-(3'-methoxy-4-biphenylyl)-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxamide
CID 24817668
1-(4-fluoro-3-methoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24818940

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24791652) is N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide is CC(C)n1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1.
What is the InChIKey of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ROIWSBGTSPVISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-18(2)30-17-19(15-27-30)16-29-13-11-20(12-14-29)25(31)28-21-7-9-22(10-8-21)32-24-6-4-3-5-23(24)26/h3-10,15,17-18,20H,11-14,16H2,1-2H3,(H,28,31).
What are the key properties of N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[4-(2-fluorophenoxy)phenyl]-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 436.53 g/mol, XLogP of 5.25, 7 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-propan-2-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24791652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).