N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

C21H23F4N3O — CID 29025995

IUPACN-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)NCc1ccccc1F
InChIInChI=1S/C21H23F4N3O/c22-18-6-2-1-5-16(18)12-27-20(29)10-7-15-4-3-11-28(14-15)19-9-8-17(13-26-19)21(23,24)25/h1-2,5-6,8-9,13,15H,3-4,7,10-12,14H2,(H,27,29)/t15-/m0/s1
InChIKeySLFMILOSCVRBIW-HNNXBMFYSA-N
MW409.43 g/mol
LogP4.55
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (PubChem CID 29025995) has the molecular formula C21H23F4N3O and a molecular weight of 409.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
PubChem CID29025995
Molecular FormulaC21H23F4N3O
Molecular Weight409.43 g/mol
Exact Mass409.18
IUPAC NameN-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide
SMILESO=C(CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)NCc1ccccc1F
InChIInChI=1S/C21H23F4N3O/c22-18-6-2-1-5-16(18)12-27-20(29)10-7-15-4-3-11-28(14-15)19-9-8-17(13-26-19)21(23,24)25/h1-2,5-6,8-9,13,15H,3-4,7,10-12,14H2,(H,27,29)/t15-/m0/s1
InChIKeySLFMILOSCVRBIW-HNNXBMFYSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethanamine
CID 63761657
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142589
1-[(2-fluorophenyl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 78782251
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-3-yl]propanamide
CID 42403686
3-[(3S)-1-(6-aminopyridine-2-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
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N-[(2-fluorophenyl)methyl]-3-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]propanamide
CID 42566664
3-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-3-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 45186260
3-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 97271885
ethyl 4-[(3R)-3-[3-[(2-fluorophenyl)methylamino]-3-oxopropyl]piperidin-1-yl]piperidine-1-carboxylate
CID 26393783
N-[(2-fluorophenyl)methyl]-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45228791
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide (CID 29025995) is N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is O=C(CC[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1)NCc1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
The InChIKey is SLFMILOSCVRBIW-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23F4N3O/c22-18-6-2-1-5-16(18)12-27-20(29)10-7-15-4-3-11-28(14-15)19-9-8-17(13-26-19)21(23,24)25/h1-2,5-6,8-9,13,15H,3-4,7,10-12,14H2,(H,27,29)/t15-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide?
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide has a molecular weight of 409.43 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 29025995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).