1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one

C26H27FN2O2 — CID 45231397

IUPAC1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C26H27FN2O2/c27-23-8-4-2-6-20(23)17-29-18-21(9-10-24(29)30)25(31)28-15-13-26(14-16-28)12-11-19-5-1-3-7-22(19)26/h1-8,11-12,21H,9-10,13-18H2
InChIKeyABTBCBGJMAXHFS-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.15
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one

1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one (PubChem CID 45231397) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
PubChem CID45231397
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC Name1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CN1Cc1ccccc1F
InChIInChI=1S/C26H27FN2O2/c27-23-8-4-2-6-20(23)17-29-18-21(9-10-24(29)30)25(31)28-15-13-26(14-16-28)12-11-19-5-1-3-7-22(19)26/h1-8,11-12,21H,9-10,13-18H2
InChIKeyABTBCBGJMAXHFS-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dibenzyl-2,8-diazaspiro[5.5]undecane-1,7-dione
CID 1043268
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 11621512
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
CID 3694715
3-[1-[(4-Fluorophenyl)methyl]-4-piperidyl]-3-phenyl-piperidine-2,6-dione
CID 197750
N,N-diethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2838111
N-benzyl-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 2930928
1'-[(3-Fluorophenyl)methyl]-3-phenyl[3,4'-bipiperidine]-2,6-dione
CID 14479853
3-[1-[(2-Fluorophenyl)methyl]piperidin-4-yl]-3-phenylpiperidine-2,6-dione
CID 14479862
6-oxo-1-(3-phenylpropyl)-N-[2-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790160
N-(3-fluorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24816630
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398
1-[[4-[4-(Piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidin-2-one
CID 44414343

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one (CID 45231397) is 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCC3(C=Cc4ccccc43)CC2)CN1Cc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
The InChIKey is ABTBCBGJMAXHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c27-23-8-4-2-6-20(23)17-29-18-21(9-10-24(29)30)25(31)28-15-13-26(14-16-28)12-11-19-5-1-3-7-22(19)26/h1-8,11-12,21H,9-10,13-18H2.
What are the key properties of 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one?
1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one has a molecular weight of 418.51 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-5-(spiro[indene-1,4'-piperidine]-1'-carbonyl)piperidin-2-one is sourced from PubChem (CID 45231397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).