1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

C20H28FN3O3 — CID 51304812

IUPAC1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H28FN3O3/c21-18-6-4-16(5-7-18)20(26)24-10-1-3-17(15-24)19(25)22-8-2-9-23-11-13-27-14-12-23/h4-7,17H,1-3,8-15H2,(H,22,25)
InChIKeyDASCQQCKENAUGO-UHFFFAOYSA-N
MW377.46 g/mol
LogP1.52
Rot. Bonds6

About 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (PubChem CID 51304812) has the molecular formula C20H28FN3O3 and a molecular weight of 377.46 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
PubChem CID51304812
Molecular FormulaC20H28FN3O3
Molecular Weight377.46 g/mol
Exact Mass377.21
IUPAC Name1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H28FN3O3/c21-18-6-4-16(5-7-18)20(26)24-10-1-3-17(15-24)19(25)22-8-2-9-23-11-13-27-14-12-23/h4-7,17H,1-3,8-15H2,(H,22,25)
InChIKeyDASCQQCKENAUGO-UHFFFAOYSA-N
XLogP1.52
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 51.52
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

(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
(3S)-1-[(4-fluorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 38103352
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804521
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 53006151
1-(4-chlorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 30532268
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
N-(4-fluorophenyl)-5-[(3S)-3-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890470
1-benzoyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200013
2-cyclohexyl-3-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazolidine-4-carboxamide
CID 5137356
1-(4-fluorobenzoyl)-N-(2-phenylsulfanylethyl)piperidine-3-carboxamide
CID 51272724

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide (CID 51304812) is 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is O=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
The InChIKey is DASCQQCKENAUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN3O3/c21-18-6-4-16(5-7-18)20(26)24-10-1-3-17(15-24)19(25)22-8-2-9-23-11-13-27-14-12-23/h4-7,17H,1-3,8-15H2,(H,22,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide has a molecular weight of 377.46 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 51304812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).