[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

C18H24FN5O — CID 95402752

IUPAC[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNCCn1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H24FN5O/c19-16-7-5-14(6-8-16)3-4-15-2-1-10-23(12-15)18(25)17-13-24(11-9-20)22-21-17/h5-8,13,15H,1-4,9-12,20H2/t15-/m0/s1
InChIKeyGBWBCCHTNJBCMG-HNNXBMFYSA-N
MW345.42 g/mol
LogP1.86
Rot. Bonds6

About [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone

[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (PubChem CID 95402752) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
PubChem CID95402752
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
SMILESNCCn1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)nn1
InChIInChI=1S/C18H24FN5O/c19-16-7-5-14(6-8-16)3-4-15-2-1-10-23(12-15)18(25)17-13-24(11-9-20)22-21-17/h5-8,13,15H,1-4,9-12,20H2/t15-/m0/s1
InChIKeyGBWBCCHTNJBCMG-HNNXBMFYSA-N
XLogP1.86
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 95556318
2-amino-1-[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]ethanone;hydrochloride
CID 154892363
(2,6-difluorophenyl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550749
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 95550139
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
(5-ethyl-1,2-oxazol-3-yl)-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95550158
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 56879699
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
[(3R)-3-(4-chlorophenyl)piperidin-1-yl]-[1-[(4-fluorophenyl)methyl]triazol-4-yl]methanone
CID 25306511
(2,3-difluorophenyl)-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone
CID 95557591
[3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 56868776
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95552871

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The IUPAC name of [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone (CID 95402752) is [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is NCCn1cc(C(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)nn1.
What is the InChIKey of [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
The InChIKey is GBWBCCHTNJBCMG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24FN5O/c19-16-7-5-14(6-8-16)3-4-15-2-1-10-23(12-15)18(25)17-13-24(11-9-20)22-21-17/h5-8,13,15H,1-4,9-12,20H2/t15-/m0/s1.
What are the key properties of [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone?
[1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone has a molecular weight of 345.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)triazol-4-yl]-[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95402752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).