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

C27H35FN4O — CID 23377466

IUPAC3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
SMILESCN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C27H35FN4O/c1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21/h3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33)
InChIKeyBTPJZTFZIJIMPF-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.23
Rot. Bonds9

About 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide

3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide (PubChem CID 23377466) has the molecular formula C27H35FN4O and a molecular weight of 450.60 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
PubChem CID23377466
Molecular FormulaC27H35FN4O
Molecular Weight450.60 g/mol
Exact Mass450.28
IUPAC Name3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
SMILESCN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C27H35FN4O/c1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21/h3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33)
InChIKeyBTPJZTFZIJIMPF-UHFFFAOYSA-N
XLogP4.23
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide 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 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide (CID 23377466) is 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide is CN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide?
The InChIKey is BTPJZTFZIJIMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN4O/c1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21/h3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33).
What are the key properties of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide?
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide has a molecular weight of 450.60 g/mol, XLogP of 4.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide is sourced from PubChem (CID 23377466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).