4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C19H18ClFN4O2 — CID 11440654

IUPAC4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-14-11-12(5-6-15(14)21)19(27)7-9-25(10-8-19)18(26)22-17-13-3-1-2-4-16(13)23-24-17/h1-6,11,27H,7-10H2,(H2,22,23,24,26)
InChIKeyIFQNAZYJLBNKPC-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.87
Rot. Bonds2

About 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11440654) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11440654
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-14-11-12(5-6-15(14)21)19(27)7-9-25(10-8-19)18(26)22-17-13-3-1-2-4-16(13)23-24-17/h1-6,11,27H,7-10H2,(H2,22,23,24,26)
InChIKeyIFQNAZYJLBNKPC-UHFFFAOYSA-N
XLogP3.87
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11155677
4-hydroxy-N-(1H-indazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 11177159
4-(5-bromo-3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11178839
4-[2-chloro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11201470
4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxy-1-piperidinecarboxylic acid (1H-indazol-3-yl)amide
CID 11224422
4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11234639
4-(3-chloro-2-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11257751
4-[2-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11270150
4-[3-fluoro-5-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11281628
4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11292190
4-[4-fluoro-3-(trifluoromethyl)phenyl]-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
CID 11293114
4-(3-chloro-4-fluorophenyl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 11337695

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11440654) is 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is IFQNAZYJLBNKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-14-11-12(5-6-15(14)21)19(27)7-9-25(10-8-19)18(26)22-17-13-3-1-2-4-16(13)23-24-17/h1-6,11,27H,7-10H2,(H2,22,23,24,26).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide has a molecular weight of 388.83 g/mol, XLogP of 3.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11440654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).