N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide

C25H31FN4O — CID 44585945

IUPACN-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
SMILESCN(C)CCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31)
InChIKeyJDVOEYXWIKKUDP-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.69
Rot. Bonds7

About N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide

N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide (PubChem CID 44585945) has the molecular formula C25H31FN4O and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
PubChem CID44585945
Molecular FormulaC25H31FN4O
Molecular Weight422.55 g/mol
Exact Mass422.25
IUPAC NameN-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide
SMILESCN(C)CCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1
InChIInChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31)
InChIKeyJDVOEYXWIKKUDP-UHFFFAOYSA-N
XLogP4.69
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide (CID 44585945) is N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide is CN(C)CCCN1CCC(c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)cc23)CC1.
What is the InChIKey of N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide?
The InChIKey is JDVOEYXWIKKUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O/c1-29(2)12-3-13-30-14-10-18(11-15-30)23-17-27-24-9-8-21(16-22(23)24)28-25(31)19-4-6-20(26)7-5-19/h4-9,16-18,27H,3,10-15H2,1-2H3,(H,28,31).
What are the key properties of N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide?
N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide has a molecular weight of 422.55 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-(dimethylamino)propyl]piperidin-4-yl]-1H-indol-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 44585945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).