1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide

C17H20F3N3O — CID 133373440

IUPAC1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1
InChIInChI=1S/C17H20F3N3O/c1-2-7-22-16(24)12-5-8-23(9-6-12)15-4-3-14(17(18,19)20)10-13(15)11-21/h3-4,10,12H,2,5-9H2,1H3,(H,22,24)
InChIKeyGRQXGYDDFCVLEF-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide

1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide (PubChem CID 133373440) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
PubChem CID133373440
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1
InChIInChI=1S/C17H20F3N3O/c1-2-7-22-16(24)12-5-8-23(9-6-12)15-4-3-14(17(18,19)20)10-13(15)11-21/h3-4,10,12H,2,5-9H2,1H3,(H,22,24)
InChIKeyGRQXGYDDFCVLEF-UHFFFAOYSA-N
XLogP3.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[[1-[2-cyano-4-(trifluoromethyl)phenyl]piperidin-4-yl]amino]ethyl]carbamate
CID 18727097
methyl (2S)-2-[1-[2-cyano-4-(trifluoromethyl)phenyl]piperidin-4-yl]-2-hydroxyacetate
CID 97062423
N-[2-(ethylamino)ethyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 119506614
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-(3-aminopropyl)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 119406552
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 115965207
N-[3-oxo-3-(propylamino)propyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55976217
1-[(2S)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 94391399
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
2-[4-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 133361121
N-[(4-methoxyphenyl)methyl]-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 25354339
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide (CID 133373440) is 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2C#N)CC1.
What is the InChIKey of 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is GRQXGYDDFCVLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-2-7-22-16(24)12-5-8-23(9-6-12)15-4-3-14(17(18,19)20)10-13(15)11-21/h3-4,10,12H,2,5-9H2,1H3,(H,22,24).
What are the key properties of 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide?
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 339.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 133373440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).