[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone

C19H24F2N2O — CID 58503507

IUPAC[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1F)C2
InChIInChI=1S/C19H24F2N2O/c20-14-4-7-17(18(21)12-14)13-10-15-5-6-16(11-13)23(15)19(24)22-8-2-1-3-9-22/h4,7,12-13,15-16H,1-3,5-6,8-11H2/t13?,15-,16+
InChIKeySJOYDELWYOLESQ-VHRNVKJDSA-N
MW334.41 g/mol
LogP4.28
Rot. Bonds1

About [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone

[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (PubChem CID 58503507) has the molecular formula C19H24F2N2O and a molecular weight of 334.41 g/mol. Its IUPAC name is [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
PubChem CID58503507
Molecular FormulaC19H24F2N2O
Molecular Weight334.41 g/mol
Exact Mass334.19
IUPAC Name[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone
SMILESO=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1F)C2
InChIInChI=1S/C19H24F2N2O/c20-14-4-7-17(18(21)12-14)13-10-15-5-6-16(11-13)23(15)19(24)22-8-2-1-3-9-22/h4,7,12-13,15-16H,1-3,5-6,8-11H2/t13?,15-,16+
InChIKeySJOYDELWYOLESQ-VHRNVKJDSA-N
XLogP4.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

(2S)-4-(2,5-difluorophenyl)-N,N-dimethyl-2-phenylpyrrolidine-1-carboxamide
CID 6102825
(4-Benzylpiperidin-1-yl)(4-isopropylpiperazin-1-yl)methanone
CID 44418489
(4-Isopropylpiperazin-1-yl)(4-phenylpiperidin-1-yl)methanone
CID 44418498
N-methyl-4-phenyl-N-(2-(piperidin-1-yl)ethyl)piperidine-1-carboxamide
CID 44579389
(4s,5s)-1,3-Diallyl-4,5-bis[(1s)-1-fluoro-2-phenyl-ethyl]imidazolidin-2-one
CID 468454
4-(2-fluorophenyl)-N,N-di(propan-2-yl)piperidine-1-carboxamide
CID 6488723
3-[2-(2,6-difluorophenyl)ethyl]-N,N-dimethyl-1-piperidinecarboxamide
CID 56895608
N,N-dimethyl-3-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperidinecarboxamide
CID 56898374
2-Ethyl-4-phenyl-9-(1-pyrrolidinylcarbonyl)-2,9-diazaspiro[5.5]undecane
CID 72844409
N-methyl-4-[1-(1-phenethyl-4-piperidyl)tetrahydro-1H-pyrrol-3-yl]tetrahydro-1(2H)-pyridinecarboxamide
CID 91910243
1-[3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
CID 16668547
1'-Acetyl-3-[2-(2,4-difluorophenyl)ethyl]-1,4'-bipiperidine
CID 45184111

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone (CID 58503507) is [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is O=C(N1CCCCC1)N1[C@@H]2CC[C@H]1CC(c1ccc(F)cc1F)C2.
What is the InChIKey of [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
The InChIKey is SJOYDELWYOLESQ-VHRNVKJDSA-N. The full InChI is InChI=1S/C19H24F2N2O/c20-14-4-7-17(18(21)12-14)13-10-15-5-6-16(11-13)23(15)19(24)22-8-2-1-3-9-22/h4,7,12-13,15-16H,1-3,5-6,8-11H2/t13?,15-,16+.
What are the key properties of [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone?
[(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone has a molecular weight of 334.41 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-(2,4-difluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 58503507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).