N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide

C28H27N5O3 — CID 67113232

IUPACN-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1cn[nH]c1
InChIInChI=1S/C28H27N5O3/c34-26-13-15-33(16-14-26)25-11-9-23(10-12-25)31-22-5-1-19(2-6-22)27(35)20-3-7-24(8-4-20)32-28(36)21-17-29-30-18-21/h1-12,17-18,26,31,34H,13-16H2,(H,29,30)(H,32,36)
InChIKeyBZZCAIKWVQZJHF-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.60
Rot. Bonds7

About N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide

N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 67113232) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID67113232
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1cn[nH]c1
InChIInChI=1S/C28H27N5O3/c34-26-13-15-33(16-14-26)25-11-9-23(10-12-25)31-22-5-1-19(2-6-22)27(35)20-3-7-24(8-4-20)32-28(36)21-17-29-30-18-21/h1-12,17-18,26,31,34H,13-16H2,(H,29,30)(H,32,36)
InChIKeyBZZCAIKWVQZJHF-UHFFFAOYSA-N
XLogP4.60
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyridine-2-carboxamide
CID 67112599
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 67114587
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]pyrrole-2-carboxamide
CID 175279921
4-(4-hydroxypiperidin-1-yl)-N-[4-[4-(4,5,6,7-tetrahydroindol-1-yl)benzoyl]phenyl]benzamide
CID 141334575
N-[3-fluoro-4-[2-fluoro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67112864
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
CID 67114188
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]benzoyl]phenyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 67114185
N-[6-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 67113163

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide (CID 67113232) is N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(C(=O)c2ccc(Nc3ccc(N4CCC(O)CC4)cc3)cc2)cc1)c1cn[nH]c1.
What is the InChIKey of N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BZZCAIKWVQZJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-26-13-15-33(16-14-26)25-11-9-23(10-12-25)31-22-5-1-19(2-6-22)27(35)20-3-7-24(8-4-20)32-28(36)21-17-29-30-18-21/h1-12,17-18,26,31,34H,13-16H2,(H,29,30)(H,32,36).
What are the key properties of N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide?
N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 481.56 g/mol, XLogP of 4.60, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-(4-hydroxypiperidin-1-yl)anilino]benzoyl]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 67113232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).