1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide

C17H23F3N4O2 — CID 47891608

IUPAC1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-2-14(25)24-11-4-3-7-13(24)16(26)23-10-9-22-15-12(17(18,19)20)6-5-8-21-15/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,21,22)(H,23,26)
InChIKeyGNELVKGQFATSQK-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.42
Rot. Bonds6

About 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide

1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide (PubChem CID 47891608) has the molecular formula C17H23F3N4O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
PubChem CID47891608
Molecular FormulaC17H23F3N4O2
Molecular Weight372.39 g/mol
Exact Mass372.18
IUPAC Name1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide
SMILESCCC(=O)N1CCCCC1C(=O)NCCNc1ncccc1C(F)(F)F
InChIInChI=1S/C17H23F3N4O2/c1-2-14(25)24-11-4-3-7-13(24)16(26)23-10-9-22-15-12(17(18,19)20)6-5-8-21-15/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,21,22)(H,23,26)
InChIKeyGNELVKGQFATSQK-UHFFFAOYSA-N
XLogP2.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(trifluoromethyl)benzoyl]-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-4-carboxamide
CID 55934156
ethyl 1-[N'-methyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156381
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
1-(2-ethylphenyl)-5-oxo-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]pyrrolidine-3-carboxamide
CID 55934019
1-piperidin-1-yl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanone
CID 115677839
1-(cyclopropanecarbonyl)-N-[3-(pyridin-3-ylamino)propyl]piperidine-2-carboxamide
CID 118775464
2-(furan-2-carbonyl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55969671
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]guanidine
CID 111918625
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55933255
N-[3-(4-fluorophenyl)sulfanylpropyl]-1-propanoylpiperidine-2-carboxamide
CID 55966394
N-(4-hydroxy-2,2-dimethylpentyl)-1-propanoylpiperidine-2-carboxamide
CID 111480417
(2S)-N-(3-phenylprop-2-ynyl)-1-propanoylpiperidine-2-carboxamide
CID 94819073

Frequently Asked Questions

What is the IUPAC name of 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide?
The IUPAC name of 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide (CID 47891608) is 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide is CCC(=O)N1CCCCC1C(=O)NCCNc1ncccc1C(F)(F)F.
What is the InChIKey of 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide?
The InChIKey is GNELVKGQFATSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O2/c1-2-14(25)24-11-4-3-7-13(24)16(26)23-10-9-22-15-12(17(18,19)20)6-5-8-21-15/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,21,22)(H,23,26).
What are the key properties of 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide?
1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propanoyl-N-[2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethyl]piperidine-2-carboxamide is sourced from PubChem (CID 47891608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).