N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C24H28FN3O — CID 22049315

IUPACN-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C24H28FN3O/c1-16(2)24(29)27-21-5-3-4-18(12-21)17-8-10-28(11-9-17)15-19-14-26-23-13-20(25)6-7-22(19)23/h3-7,12-14,16-17,26H,8-11,15H2,1-2H3,(H,27,29)
InChIKeyKZHYJYGBROYJDK-UHFFFAOYSA-N
MW393.51 g/mol
LogP5.28
Rot. Bonds5

About N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22049315) has the molecular formula C24H28FN3O and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
PubChem CID22049315
Molecular FormulaC24H28FN3O
Molecular Weight393.51 g/mol
Exact Mass393.22
IUPAC NameN-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(C2CCN(Cc3c[nH]c4cc(F)ccc34)CC2)c1
InChIInChI=1S/C24H28FN3O/c1-16(2)24(29)27-21-5-3-4-18(12-21)17-8-10-28(11-9-17)15-19-14-26-23-13-20(25)6-7-22(19)23/h3-7,12-14,16-17,26H,8-11,15H2,1-2H3,(H,27,29)
InChIKeyKZHYJYGBROYJDK-UHFFFAOYSA-N
XLogP5.28
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22049315) is N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(Cc3c[nH]c4cc(F)ccc34)CC2)c1.
What is the InChIKey of N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
The InChIKey is KZHYJYGBROYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O/c1-16(2)24(29)27-21-5-3-4-18(12-21)17-8-10-28(11-9-17)15-19-14-26-23-13-20(25)6-7-22(19)23/h3-7,12-14,16-17,26H,8-11,15H2,1-2H3,(H,27,29).
What are the key properties of N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide?
N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 393.51 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-fluoro-1H-indol-3-yl)methyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22049315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).