N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

C22H23F2N3O2 — CID 90136126

IUPACN-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2cc(C(O)CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C22H23F2N3O2/c23-17-6-5-16(12-18(17)24)25-22(29)20-11-15-10-14(4-7-19(15)26-20)21(28)13-27-8-2-1-3-9-27/h4-7,10-12,21,26,28H,1-3,8-9,13H2,(H,25,29)
InChIKeyXESGEEDKPQWNBY-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.22
Rot. Bonds5

About N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide

N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (PubChem CID 90136126) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
PubChem CID90136126
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2cc(C(O)CN3CCCCC3)ccc2[nH]1
InChIInChI=1S/C22H23F2N3O2/c23-17-6-5-16(12-18(17)24)25-22(29)20-11-15-10-14(4-7-19(15)26-20)21(28)13-27-8-2-1-3-9-27/h4-7,10-12,21,26,28H,1-3,8-9,13H2,(H,25,29)
InChIKeyXESGEEDKPQWNBY-UHFFFAOYSA-N
XLogP4.22
TPSA68.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide (CID 90136126) is N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc2cc(C(O)CN3CCCCC3)ccc2[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
The InChIKey is XESGEEDKPQWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-6-5-16(12-18(17)24)25-22(29)20-11-15-10-14(4-7-19(15)26-20)21(28)13-27-8-2-1-3-9-27/h4-7,10-12,21,26,28H,1-3,8-9,13H2,(H,25,29).
What are the key properties of N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide?
N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-(1-hydroxy-2-piperidin-1-ylethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 90136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).