4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

C19H18ClFN4O2 — CID 11234639

IUPAC4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-13-9-12(10-14(21)11-13)19(27)5-7-25(8-6-19)18(26)22-17-15-3-1-2-4-16(15)23-24-17/h1-4,9-11,27H,5-8H2,(H2,22,23,24,26)
InChIKeyFEEGUGBUFPLOJZ-UHFFFAOYSA-N
MW388.83 g/mol
LogP3.87
Rot. Bonds2

About 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide

4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (PubChem CID 11234639) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
PubChem CID11234639
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C19H18ClFN4O2/c20-13-9-12(10-14(21)11-13)19(27)5-7-25(8-6-19)18(26)22-17-15-3-1-2-4-16(15)23-24-17/h1-4,9-11,27H,5-8H2,(H2,22,23,24,26)
InChIKeyFEEGUGBUFPLOJZ-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-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide (CID 11234639) is 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCC(O)(c2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
The InChIKey is FEEGUGBUFPLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c20-13-9-12(10-14(21)11-13)19(27)5-7-25(8-6-19)18(26)22-17-15-3-1-2-4-16(15)23-24-17/h1-4,9-11,27H,5-8H2,(H2,22,23,24,26).
What are the key properties of 4-(3-chloro-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide?
4-(3-chloro-5-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-5-fluorophenyl)-4-hydroxy-N-(1H-indazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 11234639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).