[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone

C19H26FN3O — CID 97353146

IUPAC[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(N[C@H]2CN3CCC2CC3)CC1
InChIInChI=1S/C19H26FN3O/c20-17-4-2-1-3-16(17)19(24)23-11-7-15(8-12-23)21-18-13-22-9-5-14(18)6-10-22/h1-4,14-15,18,21H,5-13H2/t18-/m0/s1
InChIKeyINMSHVMHLBDNSR-SFHVURJKSA-N
MW331.43 g/mol
LogP2.11
Rot. Bonds3

About [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone

[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 97353146) has the molecular formula C19H26FN3O and a molecular weight of 331.43 g/mol. Its IUPAC name is [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID97353146
Molecular FormulaC19H26FN3O
Molecular Weight331.43 g/mol
Exact Mass331.21
IUPAC Name[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CCC(N[C@H]2CN3CCC2CC3)CC1
InChIInChI=1S/C19H26FN3O/c20-17-4-2-1-3-16(17)19(24)23-11-7-15(8-12-23)21-18-13-22-9-5-14(18)6-10-22/h1-4,14-15,18,21H,5-13H2/t18-/m0/s1
InChIKeyINMSHVMHLBDNSR-SFHVURJKSA-N
XLogP2.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone with MolForge

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Related Compounds

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CID 108553997
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CID 97230073
2-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide
CID 119944331
N-[1-(2-fluorobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
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CID 108549339
2-[4-[(2-fluorobenzoyl)amino]piperidine-1-carbonyl]benzoic acid
CID 113083297
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
N-[1-(2-fluorobenzoyl)piperidin-4-yl]propane-1-sulfonamide
CID 38820857
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]benzamide;hydrochloride
CID 119710955
4-amino-N-[1-(2-fluorobenzoyl)piperidin-4-yl]butanamide
CID 119282477
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 110820368
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-(13-tricyclo[8.2.1.03,8]trideca-3,5,7-trienyl)urea
CID 154837131

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone (CID 97353146) is [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CCC(N[C@H]2CN3CCC2CC3)CC1.
What is the InChIKey of [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is INMSHVMHLBDNSR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H26FN3O/c20-17-4-2-1-3-16(17)19(24)23-11-7-15(8-12-23)21-18-13-22-9-5-14(18)6-10-22/h1-4,14-15,18,21H,5-13H2/t18-/m0/s1.
What are the key properties of [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone?
[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 331.43 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]amino]piperidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 97353146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).