N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

C21H28F3N3O3 — CID 50804521

IUPACN-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H28F3N3O3/c22-21(23,24)18-6-1-4-16(14-18)20(29)27-9-2-5-17(15-27)19(28)25-7-3-8-26-10-12-30-13-11-26/h1,4,6,14,17H,2-3,5,7-13,15H2,(H,25,28)
InChIKeyRUBSNMXMHLQHRJ-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.40
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (PubChem CID 50804521) has the molecular formula C21H28F3N3O3 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
PubChem CID50804521
Molecular FormulaC21H28F3N3O3
Molecular Weight427.47 g/mol
Exact Mass427.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C21H28F3N3O3/c22-21(23,24)18-6-1-4-16(14-18)20(29)27-9-2-5-17(15-27)19(28)25-7-3-8-26-10-12-30-13-11-26/h1,4,6,14,17H,2-3,5,7-13,15H2,(H,25,28)
InChIKeyRUBSNMXMHLQHRJ-UHFFFAOYSA-N
XLogP2.40
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.40
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

1-(4-fluorobenzoyl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 51304812
(3R)-1-[4-(2,2-dimethylpropanoylamino)benzoyl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92728921
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
N-[(4-methoxyphenyl)methyl]-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804362
1-benzoyl-N-(3-morpholin-4-ylpropyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
CID 110200013
N-(3-morpholin-4-ylpropyl)-1-(3,4,5-trimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 53006151
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-(2,4-dimethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804308
N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]cyclopropanecarboxamide
CID 51114169

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide (CID 50804521) is N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is O=C(NCCCN1CCOCC1)C1CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is RUBSNMXMHLQHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O3/c22-21(23,24)18-6-1-4-16(14-18)20(29)27-9-2-5-17(15-27)19(28)25-7-3-8-26-10-12-30-13-11-26/h1,4,6,14,17H,2-3,5,7-13,15H2,(H,25,28).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 50804521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).