(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide

C24H25FN4O2 — CID 25385278

IUPAC(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1ccn(CC(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1
InChIInChI=1S/C24H25FN4O2/c1-17-11-13-29(27-17)16-23(30)28-12-3-5-20(15-28)24(31)26-22-6-2-4-19(14-22)18-7-9-21(25)10-8-18/h2,4,6-11,13-14,20H,3,5,12,15-16H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyXLIIZHOTGGYYTK-HXUWFJFHSA-N
MW420.49 g/mol
LogP3.87
Rot. Bonds5

About (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide

(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 25385278) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID25385278
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESCc1ccn(CC(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1
InChIInChI=1S/C24H25FN4O2/c1-17-11-13-29(27-17)16-23(30)28-12-3-5-20(15-28)24(31)26-22-6-2-4-19(14-22)18-7-9-21(25)10-8-18/h2,4,6-11,13-14,20H,3,5,12,15-16H2,1H3,(H,26,31)/t20-/m1/s1
InChIKeyXLIIZHOTGGYYTK-HXUWFJFHSA-N
XLogP3.87
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-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

(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
methyl 4-[(3S)-3-[[4-(3-fluorophenyl)phenyl]carbamoyl]piperidin-1-yl]-4-oxobutanoate
CID 26327809
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
(3S)-N-[3-(3-methylphenyl)phenyl]-1-[3-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)propanoyl]piperidine-3-carboxamide
CID 25282807
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 53106960

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide (CID 25385278) is (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide is Cc1ccn(CC(=O)N2CCC[C@@H](C(=O)Nc3cccc(-c4ccc(F)cc4)c3)C2)n1.
What is the InChIKey of (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is XLIIZHOTGGYYTK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-17-11-13-29(27-17)16-23(30)28-12-3-5-20(15-28)24(31)26-22-6-2-4-19(14-22)18-7-9-21(25)10-8-18/h2,4,6-11,13-14,20H,3,5,12,15-16H2,1H3,(H,26,31)/t20-/m1/s1.
What are the key properties of (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide?
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 25385278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).