1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone

C13H15FN4O — CID 171999192

IUPAC1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone
SMILES[N-]=[N+]=NC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-2-10(8-11)9-13(19)18-6-4-12(5-7-18)16-17-15/h1-3,8,12H,4-7,9H2
InChIKeyYPOBCBYDGZUGOZ-UHFFFAOYSA-N
MW262.29 g/mol
LogP2.67
Rot. Bonds3

About 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone

1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone (PubChem CID 171999192) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone
PubChem CID171999192
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone
SMILES[N-]=[N+]=NC1CCN(C(=O)Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H15FN4O/c14-11-3-1-2-10(8-11)9-13(19)18-6-4-12(5-7-18)16-17-15/h1-3,8,12H,4-7,9H2
InChIKeyYPOBCBYDGZUGOZ-UHFFFAOYSA-N
XLogP2.67
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-hydroxyphenyl)-1-(4-azidopiperidin-1-yl)ethanone
CID 166386958
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]propanamide
CID 110822825
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 63596909
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 106839289
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
2-(3-fluorophenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]acetamide
CID 51093724
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
2-(3-fluorophenyl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110809747
4-[1-[2-(3-fluorophenyl)acetyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 113003789

Frequently Asked Questions

What is the IUPAC name of 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone (CID 171999192) is 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone is [N-]=[N+]=NC1CCN(C(=O)Cc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone?
The InChIKey is YPOBCBYDGZUGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-3-1-2-10(8-11)9-13(19)18-6-4-12(5-7-18)16-17-15/h1-3,8,12H,4-7,9H2.
What are the key properties of 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone?
1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone has a molecular weight of 262.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azidopiperidin-1-yl)-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 171999192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).