N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide

C25H30FN3O — CID 90845273

IUPACN-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc2ccn(C3CCN(CC(F)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H30FN3O/c1-2-25(30)27-17-19-8-9-21-10-15-29(24(21)16-19)22-11-13-28(14-12-22)18-23(26)20-6-4-3-5-7-20/h3-10,15-16,22-23H,2,11-14,17-18H2,1H3,(H,27,30)
InChIKeyBBZTYQRHICXFCA-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.02
Rot. Bonds7

About N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide

N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide (PubChem CID 90845273) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
PubChem CID90845273
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide
SMILESCCC(=O)NCc1ccc2ccn(C3CCN(CC(F)c4ccccc4)CC3)c2c1
InChIInChI=1S/C25H30FN3O/c1-2-25(30)27-17-19-8-9-21-10-15-29(24(21)16-19)22-11-13-28(14-12-22)18-23(26)20-6-4-3-5-7-20/h3-10,15-16,22-23H,2,11-14,17-18H2,1H3,(H,27,30)
InChIKeyBBZTYQRHICXFCA-UHFFFAOYSA-N
XLogP5.02
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]butanamide
CID 22037940
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide
CID 23377466
3-[1-(1-ethylpiperidin-4-yl)indol-6-yl]propanoic acid
CID 174406031
3-(1-cyclopentylindol-6-yl)-2-methylpropanoic acid
CID 115115521
2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-methoxyethyl)acetamide
CID 22038327
1-[1-(1-ethylpiperidin-4-yl)indol-6-yl]ethanol
CID 174405301
6-bromo-1-(1-ethylpiperidin-4-yl)indole;fluorobenzene
CID 174406015
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-benzhydryloxy-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 56551787
1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103689
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103542
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide?
The IUPAC name of N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide (CID 90845273) is N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide.
What is the SMILES notation for N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide?
The canonical SMILES for N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide is CCC(=O)NCc1ccc2ccn(C3CCN(CC(F)c4ccccc4)CC3)c2c1.
What is the InChIKey of N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide?
The InChIKey is BBZTYQRHICXFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-2-25(30)27-17-19-8-9-21-10-15-29(24(21)16-19)22-11-13-28(14-12-22)18-23(26)20-6-4-3-5-7-20/h3-10,15-16,22-23H,2,11-14,17-18H2,1H3,(H,27,30).
What are the key properties of N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide?
N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide has a molecular weight of 407.53 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-fluoro-2-phenylethyl)piperidin-4-yl]indol-6-yl]methyl]propanamide is sourced from PubChem (CID 90845273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).