1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide

C16H21FN2O3 — CID 78854856

IUPAC1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCO)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3/c17-14-6-4-12(5-7-14)16(22)19-9-1-3-13(11-19)15(21)18-8-2-10-20/h4-7,13,20H,1-3,8-11H2,(H,18,21)
InChIKeyKGWPGCWFKWXWGN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.18
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 78854856) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
PubChem CID78854856
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCCCO)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O3/c17-14-6-4-12(5-7-14)16(22)19-9-1-3-13(11-19)15(21)18-8-2-10-20/h4-7,13,20H,1-3,8-11H2,(H,18,21)
InChIKeyKGWPGCWFKWXWGN-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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

1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
N-[3-(4-bromoanilino)-3-oxopropyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 55951069
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide (CID 78854856) is 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide is O=C(NCCCO)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is KGWPGCWFKWXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c17-14-6-4-12(5-7-14)16(22)19-9-1-3-13(11-19)15(21)18-8-2-10-20/h4-7,13,20H,1-3,8-11H2,(H,18,21).
What are the key properties of 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 78854856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).