N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C17H23F3N4O3 — CID 24596265

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H23F3N4O3/c1-27-9-6-21-15(25)11-23-16(26)12-4-7-24(8-5-12)14-3-2-13(10-22-14)17(18,19)20/h2-3,10,12H,4-9,11H2,1H3,(H,21,25)(H,23,26)
InChIKeyBYWKUQBMNAJUTD-UHFFFAOYSA-N
MW388.39 g/mol
LogP1.20
Rot. Bonds7

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 24596265) has the molecular formula C17H23F3N4O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID24596265
Molecular FormulaC17H23F3N4O3
Molecular Weight388.39 g/mol
Exact Mass388.17
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H23F3N4O3/c1-27-9-6-21-15(25)11-23-16(26)12-4-7-24(8-5-12)14-3-2-13(10-22-14)17(18,19)20/h2-3,10,12H,4-9,11H2,1H3,(H,21,25)(H,23,26)
InChIKeyBYWKUQBMNAJUTD-UHFFFAOYSA-N
XLogP1.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 4876895
N-[2-(2-bromoanilino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 26287807
N-[3-(dimethylamino)-3-oxopropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 155945603
N-[(2R)-2-pyrrolidin-1-ylpropyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 92612338
1-(5-chloro-2-pyridinyl)-N-[2-(2-methoxyethoxy)ethyl]piperidine-4-carboxamide
CID 47918136
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 9227761
N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 17424947
N-(5-methylhexan-2-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 43031278
1-[5-(trifluoromethyl)-2-pyridinyl]-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 46977522
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 24594373
ethyl N-[2-oxo-2-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]ethyl]carbamate
CID 47070407
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 46968579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 24596265) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is COCCNC(=O)CNC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is BYWKUQBMNAJUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N4O3/c1-27-9-6-21-15(25)11-23-16(26)12-4-7-24(8-5-12)14-3-2-13(10-22-14)17(18,19)20/h2-3,10,12H,4-9,11H2,1H3,(H,21,25)(H,23,26).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 388.39 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 24596265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).