N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide

C19H27F3N2O2 — CID 174852434

IUPACN-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)cc(OCC(F)(F)F)cc1C
InChIInChI=1S/C19H27F3N2O2/c1-4-8-24-9-6-5-7-16(24)18(25)23-17-13(2)10-15(11-14(17)3)26-12-19(20,21)22/h10-11,16H,4-9,12H2,1-3H3,(H,23,25)
InChIKeyHRKYYNWOERQYJI-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.45
Rot. Bonds6

About N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide

N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide (PubChem CID 174852434) has the molecular formula C19H27F3N2O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide
PubChem CID174852434
Molecular FormulaC19H27F3N2O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC NameN-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide
SMILESCCCN1CCCCC1C(=O)Nc1c(C)cc(OCC(F)(F)F)cc1C
InChIInChI=1S/C19H27F3N2O2/c1-4-8-24-9-6-5-7-16(24)18(25)23-17-13(2)10-15(11-14(17)3)26-12-19(20,21)22/h10-11,16H,4-9,12H2,1-3H3,(H,23,25)
InChIKeyHRKYYNWOERQYJI-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide
CID 24892800
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;chloride;hydrate
CID 170923314
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;hydrate;hydrochloride
CID 6918111
(2S)-N-(2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide;4-hydroxy-3-methoxybenzoic acid
CID 129031400
(2S)-N-(2-ethynyl-4-methylthiophen-3-yl)-1-propylpiperidine-2-carboxamide
CID 141479959
N-[2-(difluoromethyl)-4-methylthiophen-3-yl]-1-propylpiperidine-2-carboxamide
CID 174849675
1-pentyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 3916736
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide
CID 77242336
1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;methanol
CID 66709536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide chloride
CID 154730536
(2S)-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;phosphoric acid
CID 66615074
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide?
The IUPAC name of N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide (CID 174852434) is N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide?
The canonical SMILES for N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide is CCCN1CCCCC1C(=O)Nc1c(C)cc(OCC(F)(F)F)cc1C.
What is the InChIKey of N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide?
The InChIKey is HRKYYNWOERQYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O2/c1-4-8-24-9-6-5-7-16(24)18(25)23-17-13(2)10-15(11-14(17)3)26-12-19(20,21)22/h10-11,16H,4-9,12H2,1-3H3,(H,23,25).
What are the key properties of N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide?
N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]-1-propylpiperidine-2-carboxamide is sourced from PubChem (CID 174852434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).