1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C18H24F3N3O — CID 119389165

IUPAC1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCNCC1)C1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)17(16(25)23-15-6-9-22-10-7-15)8-11-24(13-17)12-14-4-2-1-3-5-14/h1-5,15,22H,6-13H2,(H,23,25)
InChIKeyJWZIWRVMBIPZLO-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.31
Rot. Bonds4

About 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide

1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 119389165) has the molecular formula C18H24F3N3O and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID119389165
Molecular FormulaC18H24F3N3O
Molecular Weight355.40 g/mol
Exact Mass355.19
IUPAC Name1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCNCC1)C1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24F3N3O/c19-18(20,21)17(16(25)23-15-6-9-22-10-7-15)8-11-24(13-17)12-14-4-2-1-3-5-14/h1-5,15,22H,6-13H2,(H,23,25)
InChIKeyJWZIWRVMBIPZLO-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120946487
1-benzyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 86949730
1-benzyl-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119558260
(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
N-(3-aminopropyl)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119407848
N-(1-benzylpiperidin-4-yl)-3-methylpiperidine-3-carboxamide;dihydrochloride
CID 119946069
[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579598
(4-aminopiperidin-1-yl)-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 119375806
1-benzyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56578150
2-[[1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]-methylamino]acetic acid
CID 119346070
(3S)-1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 52504523
1-benzyl-N-[4-(hydroxymethyl)cyclohexyl]-4-methylpiperidine-4-carboxamide
CID 86816799

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 119389165) is 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NC1CCNCC1)C1(C(F)(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is JWZIWRVMBIPZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O/c19-18(20,21)17(16(25)23-15-6-9-22-10-7-15)8-11-24(13-17)12-14-4-2-1-3-5-14/h1-5,15,22H,6-13H2,(H,23,25).
What are the key properties of 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119389165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).