1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide

C18H24F3N5O — CID 46481936

IUPAC1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F
InChIInChI=1S/C18H24F3N5O/c1-25(13-18(19,20)21)8-2-7-23-17(27)15-5-9-26(10-6-15)16-4-3-14(11-22)12-24-16/h3-4,12,15H,2,5-10,13H2,1H3,(H,23,27)
InChIKeyRCNBNQBEBUUNND-UHFFFAOYSA-N
MW383.42 g/mol
LogP2.17
Rot. Bonds7

About 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide (PubChem CID 46481936) has the molecular formula C18H24F3N5O and a molecular weight of 383.42 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
PubChem CID46481936
Molecular FormulaC18H24F3N5O
Molecular Weight383.42 g/mol
Exact Mass383.19
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F
InChIInChI=1S/C18H24F3N5O/c1-25(13-18(19,20)21)8-2-7-23-17(27)15-5-9-26(10-6-15)16-4-3-14(11-22)12-24-16/h3-4,12,15H,2,5-10,13H2,1H3,(H,23,27)
InChIKeyRCNBNQBEBUUNND-UHFFFAOYSA-N
XLogP2.17
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
1-(5-cyano-2-pyridinyl)-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 51314226
1-(5-cyano-2-pyridinyl)-N-[2,2-difluoro-2-(2-methylphenyl)ethyl]piperidine-4-carboxamide
CID 155952974
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide
CID 16597727
1-(5-cyano-2-pyridinyl)-N-[3-(6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]piperidine-4-carboxamide
CID 154664519
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[2-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]ethyl]piperidine-4-carboxamide
CID 162370343
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide (CID 46481936) is 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(c2ccc(C#N)cn2)CC1)CC(F)(F)F.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide?
The InChIKey is RCNBNQBEBUUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O/c1-25(13-18(19,20)21)8-2-7-23-17(27)15-5-9-26(10-6-15)16-4-3-14(11-22)12-24-16/h3-4,12,15H,2,5-10,13H2,1H3,(H,23,27).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46481936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).