3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

C23H25N5O2 — CID 129325046

IUPAC3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3ccccc3Nc3ccccc3)C2)n1
InChIInChI=1S/C23H25N5O2/c1-27-15-19(22(24)29)21(26-27)16-8-7-13-28(14-16)23(30)18-11-5-6-12-20(18)25-17-9-3-2-4-10-17/h2-6,9-12,15-16,25H,7-8,13-14H2,1H3,(H2,24,29)/t16-/m1/s1
InChIKeyVQELJROTGSYARM-MRXNPFEDSA-N
MW403.49 g/mol
LogP3.28
Rot. Bonds5

About 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide

3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 129325046) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
PubChem CID129325046
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3ccccc3Nc3ccccc3)C2)n1
InChIInChI=1S/C23H25N5O2/c1-27-15-19(22(24)29)21(26-27)16-8-7-13-28(14-16)23(30)18-11-5-6-12-20(18)25-17-9-3-2-4-10-17/h2-6,9-12,15-16,25H,7-8,13-14H2,1H3,(H2,24,29)/t16-/m1/s1
InChIKeyVQELJROTGSYARM-MRXNPFEDSA-N
XLogP3.28
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-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

(2-anilinophenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488243
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
(2-anilinophenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 25332419
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
3-[1-(8-fluoroimidazo[1,5-a]pyridine-3-carbonyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide
CID 166246650
3-(4-carbamoyl-1-phenylpyrazol-3-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 167920055
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]piperidine-1-carboxamide
CID 128972578
3-(4-carbamoyl-1-methylpyrazol-3-yl)-N-[(3-pyridin-2-ylphenyl)methyl]piperidine-1-carboxamide
CID 128968811
N-[1-(2-anilinobenzoyl)pyrrolidin-3-yl]acetamide
CID 154864837
(2S)-4-(2-anilinobenzoyl)morpholine-2-carboxamide
CID 94371242

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide (CID 129325046) is 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(N)=O)c([C@@H]2CCCN(C(=O)c3ccccc3Nc3ccccc3)C2)n1.
What is the InChIKey of 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is VQELJROTGSYARM-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-15-19(22(24)29)21(26-27)16-8-7-13-28(14-16)23(30)18-11-5-6-12-20(18)25-17-9-3-2-4-10-17/h2-6,9-12,15-16,25H,7-8,13-14H2,1H3,(H2,24,29)/t16-/m1/s1.
What are the key properties of 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide?
3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(2-anilinobenzoyl)piperidin-3-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 129325046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).