N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide

C26H30FN3O2 — CID 44524831

IUPACN-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H30FN3O2/c27-20-7-5-19(6-8-20)26(32)13-15-30(16-14-26)22-11-9-21(10-12-22)28-25(31)24-17-18-3-1-2-4-23(18)29-24/h1-8,17,21-22,29,32H,9-16H2,(H,28,31)
InChIKeyUHFYMUOCZFJMJI-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.33
Rot. Bonds4

About N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide

N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (PubChem CID 44524831) has the molecular formula C26H30FN3O2 and a molecular weight of 435.54 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
PubChem CID44524831
Molecular FormulaC26H30FN3O2
Molecular Weight435.54 g/mol
Exact Mass435.23
IUPAC NameN-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C26H30FN3O2/c27-20-7-5-19(6-8-20)26(32)13-15-30(16-14-26)22-11-9-21(10-12-22)28-25(31)24-17-18-3-1-2-4-23(18)29-24/h1-8,17,21-22,29,32H,9-16H2,(H,28,31)
InChIKeyUHFYMUOCZFJMJI-UHFFFAOYSA-N
XLogP4.33
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide (CID 44524831) is N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is O=C(NC1CCC(N2CCC(O)(c3ccc(F)cc3)CC2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
The InChIKey is UHFYMUOCZFJMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O2/c27-20-7-5-19(6-8-20)26(32)13-15-30(16-14-26)22-11-9-21(10-12-22)28-25(31)24-17-18-3-1-2-4-23(18)29-24/h1-8,17,21-22,29,32H,9-16H2,(H,28,31).
What are the key properties of N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide?
N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide has a molecular weight of 435.54 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]cyclohexyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44524831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).