4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide

C16H21FN2O3 — CID 110903684

IUPAC4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c17-13-5-3-12(4-6-13)16(22)18-9-1-2-15(21)19-10-7-14(20)8-11-19/h3-6,14,20H,1-2,7-11H2,(H,18,22)
InChIKeySDHYHBSSDKPRQD-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.32
Rot. Bonds5

About 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide

4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide (PubChem CID 110903684) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
PubChem CID110903684
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(O)CC1)c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O3/c17-13-5-3-12(4-6-13)16(22)18-9-1-2-15(21)19-10-7-14(20)8-11-19/h3-6,14,20H,1-2,7-11H2,(H,18,22)
InChIKeySDHYHBSSDKPRQD-UHFFFAOYSA-N
XLogP1.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-aminopiperidin-1-yl)-4-oxobutyl]-4-fluorobenzamide
CID 119373798
N-[4-[4-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119517736
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
4-fluoro-N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]benzamide
CID 110903798
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
CID 34423868
N-[4-[2-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-4-fluorobenzamide
CID 119631800
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
4-fluoro-N-[4-oxo-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]butyl]benzamide
CID 86891199
N-(2-aminoethyl)-1-[4-[(4-fluorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 119480053

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide (CID 110903684) is 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide is O=C(NCCCC(=O)N1CCC(O)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide?
The InChIKey is SDHYHBSSDKPRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-13-5-3-12(4-6-13)16(22)18-9-1-2-15(21)19-10-7-14(20)8-11-19/h3-6,14,20H,1-2,7-11H2,(H,18,22).
What are the key properties of 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide?
4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide has a molecular weight of 308.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-hydroxypiperidin-1-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 110903684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).