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

C19H18ClFN4O2 — CID 11292190

IUPAC4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-14-6-5-12(11-15(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)
InChIKeySXSBUFJCCUOBLP-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.87
Rot. Bonds2

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

4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11292190) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11292190
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)c(F)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-14-6-5-12(11-15(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)
InChIKeySXSBUFJCCUOBLP-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11292190) is 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2ccc(Cl)c(F)c2)CC1.
What is the InChIKey of 4-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is SXSBUFJCCUOBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-14-6-5-12(11-15(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-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(4-chloro-3-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-(4-chloro-3-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11292190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).