4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide

C25H30FN3O — CID 54306354

IUPAC4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H30FN3O/c1-3-21(4-2)29-13-11-17(12-14-29)23-16-27-24-10-9-20(15-22(23)24)28-25(30)18-5-7-19(26)8-6-18/h5-10,15-17,21,27H,3-4,11-14H2,1-2H3,(H,28,30)
InChIKeySHULESGFLGJPGA-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.93
Rot. Bonds6

About 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide

4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide (PubChem CID 54306354) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
PubChem CID54306354
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide
SMILESCCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H30FN3O/c1-3-21(4-2)29-13-11-17(12-14-29)23-16-27-24-10-9-20(15-22(23)24)28-25(30)18-5-7-19(26)8-6-18/h5-10,15-17,21,27H,3-4,11-14H2,1-2H3,(H,28,30)
InChIKeySHULESGFLGJPGA-UHFFFAOYSA-N
XLogP5.93
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]furan-3-carboxamide
CID 54567819
4-fluoro-N-[3-[1-[3,3,3-trifluoro-2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]propyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24881551
4-fluoro-N-[3-[1-[2-[2-[2-[4-[5-[(4-fluorobenzoyl)amino]-1H-indol-3-yl]piperidin-1-yl]ethoxy]ethoxy]ethyl]piperidin-4-yl]-1H-indol-5-yl]benzamide
CID 24882268
3,5-dichloro-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611201
N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1H-indol-5-yl]-4-(hydroxymethyl)benzamide
CID 118865696
N-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]thiophene-2-carboxamide
CID 10276428
but-2-enedioic acid;N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]propanamide
CID 70104762
2-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611451
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409
4-methoxybutyl N-[3-(1-ethylpiperidin-4-yl)-1H-indol-5-yl]carbamate
CID 142627288
(E)-but-2-enedioic acid;3-methoxy-N-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]benzamide
CID 22611180
4-fluoro-N-[3-(1-propylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]benzamide
CID 10959868

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide (CID 54306354) is 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide is CCC(CC)N1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
The InChIKey is SHULESGFLGJPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-3-21(4-2)29-13-11-17(12-14-29)23-16-27-24-10-9-20(15-22(23)24)28-25(30)18-5-7-19(26)8-6-18/h5-10,15-17,21,27H,3-4,11-14H2,1-2H3,(H,28,30).
What are the key properties of 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide?
4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide has a molecular weight of 407.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(1-pentan-3-ylpiperidin-4-yl)-1H-indol-5-yl]benzamide is sourced from PubChem (CID 54306354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).