(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

C25H29FN2O2 — CID 25450820

IUPAC(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21
InChIInChI=1S/C25H29FN2O2/c1-27(25(30)23-16-24(29)22-5-3-2-4-21(22)23)17-19-11-14-28(15-12-19)13-10-18-6-8-20(26)9-7-18/h2-9,19,23H,10-17H2,1H3/t23-/m1/s1
InChIKeyGLQKNOKMSUCPSS-HSZRJFAPSA-N
MW408.52 g/mol
LogP3.91
Rot. Bonds6

About (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide

(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (PubChem CID 25450820) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
PubChem CID25450820
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide
SMILESCN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21
InChIInChI=1S/C25H29FN2O2/c1-27(25(30)23-16-24(29)22-5-3-2-4-21(22)23)17-19-11-14-28(15-12-19)13-10-18-6-8-20(26)9-7-18/h2-9,19,23H,10-17H2,1H3/t23-/m1/s1
InChIKeyGLQKNOKMSUCPSS-HSZRJFAPSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The IUPAC name of (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide (CID 25450820) is (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide.
What is the SMILES notation for (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The canonical SMILES for (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is CN(CC1CCN(CCc2ccc(F)cc2)CC1)C(=O)[C@@H]1CC(=O)c2ccccc21.
What is the InChIKey of (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
The InChIKey is GLQKNOKMSUCPSS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-27(25(30)23-16-24(29)22-5-3-2-4-21(22)23)17-19-11-14-28(15-12-19)13-10-18-6-8-20(26)9-7-18/h2-9,19,23H,10-17H2,1H3/t23-/m1/s1.
What are the key properties of (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide?
(1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-3-oxo-1,2-dihydroindene-1-carboxamide is sourced from PubChem (CID 25450820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).