N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide

C26H32FN3O — CID 22037940

IUPACN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H32FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,11,17-18,24H,2-3,10,12-16,19H2,1H3,(H,28,31)
InChIKeyPBTVFEDQBMCTSU-UHFFFAOYSA-N
MW421.56 g/mol
LogP5.08
Rot. Bonds8

About N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide

N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide (PubChem CID 22037940) has the molecular formula C26H32FN3O and a molecular weight of 421.56 g/mol. Its IUPAC name is N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide.

Molecular Properties

Compound NameN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
PubChem CID22037940
Molecular FormulaC26H32FN3O
Molecular Weight421.56 g/mol
Exact Mass421.25
IUPAC NameN-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
SMILESCCCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C26H32FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,11,17-18,24H,2-3,10,12-16,19H2,1H3,(H,28,31)
InChIKeyPBTVFEDQBMCTSU-UHFFFAOYSA-N
XLogP5.08
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide?
The IUPAC name of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide (CID 22037940) is N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide.
What is the SMILES notation for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide?
The canonical SMILES for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide is CCCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide?
The InChIKey is PBTVFEDQBMCTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32FN3O/c1-2-3-26(31)28-19-21-4-7-22-11-17-30(25(22)18-21)24-12-15-29(16-13-24)14-10-20-5-8-23(27)9-6-20/h4-9,11,17-18,24H,2-3,10,12-16,19H2,1H3,(H,28,31).
What are the key properties of N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide?
N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide has a molecular weight of 421.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide is sourced from PubChem (CID 22037940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).