[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

C20H24FN3O2 — CID 126449120

IUPAC[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESNCCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H24FN3O2/c21-16-7-8-19(26-12-4-9-22)17(13-16)20(25)24-11-2-1-6-18(24)15-5-3-10-23-14-15/h3,5,7-8,10,13-14,18H,1-2,4,6,9,11-12,22H2/t18-/m0/s1
InChIKeyVZVZHIZNMIUTDC-SFHVURJKSA-N
MW357.43 g/mol
LogP3.32
Rot. Bonds6

About [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone

[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (PubChem CID 126449120) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
PubChem CID126449120
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
SMILESNCCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cccnc1
InChIInChI=1S/C20H24FN3O2/c21-16-7-8-19(26-12-4-9-22)17(13-16)20(25)24-11-2-1-6-18(24)15-5-3-10-23-14-15/h3,5,7-8,10,13-14,18H,1-2,4,6,9,11-12,22H2/t18-/m0/s1
InChIKeyVZVZHIZNMIUTDC-SFHVURJKSA-N
XLogP3.32
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(3-fluorophenyl)azepan-1-yl]methanone
CID 126444823
[2-(2-aminoethoxy)-4-methoxyphenyl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 118786072
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(3-methoxyphenyl)azetidin-1-yl]methanone
CID 118767196
[2-(3-aminopropoxy)-5-fluorophenyl]-[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 118785190
(2S)-1-[2-(3-aminopropoxy)-5-fluorobenzoyl]-N-methylpiperidine-2-carboxamide
CID 125163469
[2-(2-aminoethoxy)-5-fluorophenyl]-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 126423261
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
[2-(3-aminopropoxy)-5-fluorophenyl]-(4-cyclohexylpiperazin-1-yl)methanone
CID 118775958
[2-(aminomethyl)-4-pyridinyl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 114325684
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74239837
(5-cyclohexyl-1H-pyrazol-4-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 74246122

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The IUPAC name of [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone (CID 126449120) is [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone.
What is the SMILES notation for [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The canonical SMILES for [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is NCCCOc1ccc(F)cc1C(=O)N1CCCC[C@H]1c1cccnc1.
What is the InChIKey of [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
The InChIKey is VZVZHIZNMIUTDC-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24FN3O2/c21-16-7-8-19(26-12-4-9-22)17(13-16)20(25)24-11-2-1-6-18(24)15-5-3-10-23-14-15/h3,5,7-8,10,13-14,18H,1-2,4,6,9,11-12,22H2/t18-/m0/s1.
What are the key properties of [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone?
[2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone has a molecular weight of 357.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropoxy)-5-fluorophenyl]-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 126449120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).