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

C23H25FN4O — CID 24790617

IUPACN-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1
InChIInChI=1S/C23H25FN4O/c1-27-15-17(14-25-27)16-28-10-8-18(9-11-28)23(29)26-22-7-3-5-20(13-22)19-4-2-6-21(24)12-19/h2-7,12-15,18H,8-11,16H2,1H3,(H,26,29)
InChIKeyRZXKLWZOFHIQPY-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.08
Rot. Bonds5

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

N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 24790617) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID24790617
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC NameN-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1
InChIInChI=1S/C23H25FN4O/c1-27-15-17(14-25-27)16-28-10-8-18(9-11-28)23(29)26-22-7-3-5-20(13-22)19-4-2-6-21(24)12-19/h2-7,12-15,18H,8-11,16H2,1H3,(H,26,29)
InChIKeyRZXKLWZOFHIQPY-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

Analyze N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-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

Rgfp966
CID 56650312
N-[3-[1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]triazol-4-yl]phenyl]cyclopropanecarboxamide
CID 150533442
2-(1,3-Diphenylpyrazol-4-yl)-1-piperidin-1-ylethanone
CID 4799063
N-(4-fluorophenyl)-1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-3-piperidinamine
CID 24819297
N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 1244086
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]prop-2-enamide
CID 9862544
N,N-diethyl-2-[4-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055778
N-cyclohexyl-2-(3-fluoro-N-(2-pyrazol-1-ylacetyl)anilino)-2-(2-methylphenyl)acetamide
CID 68056678
N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide
CID 68294530
(4R)-4-methyl-6-[1-(1-phenylethyl)pyrazol-4-yl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 121277864
Cxd-101
CID 16225380
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-2,2-diphenylacetamide
CID 2225156

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide (CID 24790617) is N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is Cn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1.
What is the InChIKey of N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RZXKLWZOFHIQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-27-15-17(14-25-27)16-28-10-8-18(9-11-28)23(29)26-22-7-3-5-20(13-22)19-4-2-6-21(24)12-19/h2-7,12-15,18H,8-11,16H2,1H3,(H,26,29).
What are the key properties of N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide?
N-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-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-[3-(3-fluorophenyl)phenyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 24790617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).