N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide

C25H30FN3O — CID 69351836

IUPACN-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide
SMILESCCNC(=O)c1ccc2cc(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H30FN3O/c1-3-27-25(30)21-7-6-20-16-18(2)29(24(20)17-21)23-11-14-28(15-12-23)13-10-19-4-8-22(26)9-5-19/h4-9,16-17,23H,3,10-15H2,1-2H3,(H,27,30)
InChIKeySFTIROVURFVBOJ-UHFFFAOYSA-N
MW407.53 g/mol
LogP4.72
Rot. Bonds6

About N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide

N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide (PubChem CID 69351836) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide
PubChem CID69351836
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC NameN-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide
SMILESCCNC(=O)c1ccc2cc(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C25H30FN3O/c1-3-27-25(30)21-7-6-20-16-18(2)29(24(20)17-21)23-11-14-28(15-12-23)13-10-19-4-8-22(26)9-5-19/h4-9,16-17,23H,3,10-15H2,1-2H3,(H,27,30)
InChIKeySFTIROVURFVBOJ-UHFFFAOYSA-N
XLogP4.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.53
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide?
The IUPAC name of N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide (CID 69351836) is N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide.
What is the SMILES notation for N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide?
The canonical SMILES for N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide is CCNC(=O)c1ccc2cc(C)n(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide?
The InChIKey is SFTIROVURFVBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-3-27-25(30)21-7-6-20-16-18(2)29(24(20)17-21)23-11-14-28(15-12-23)13-10-19-4-8-22(26)9-5-19/h4-9,16-17,23H,3,10-15H2,1-2H3,(H,27,30).
What are the key properties of N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide?
N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide has a molecular weight of 407.53 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-2-methylindole-6-carboxamide is sourced from PubChem (CID 69351836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).