1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C18H24F3N3O2 — CID 120946487

IUPAC1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)17(16(26)23-9-14-8-22-10-15(14)25)6-7-24(12-17)11-13-4-2-1-3-5-13/h1-5,14-15,22,25H,6-12H2,(H,23,26)
InChIKeyJPLCMMVDFNFBRL-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.14
Rot. Bonds5

About 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 120946487) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID120946487
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC1CNCC1O)C1(C(F)(F)F)CCN(Cc2ccccc2)C1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)17(16(26)23-9-14-8-22-10-15(14)25)6-7-24(12-17)11-13-4-2-1-3-5-13/h1-5,14-15,22,25H,6-12H2,(H,23,26)
InChIKeyJPLCMMVDFNFBRL-UHFFFAOYSA-N
XLogP1.14
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-piperidin-4-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 119389165
1-benzyl-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119558260
N-(3-aminopropyl)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119407848
(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
1-benzyl-N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56578150
2-(4-benzylpiperazin-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 120946032
1-benzyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 86878555
(4-aminopiperidin-1-yl)-[1-benzyl-3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 119375806
1-benzyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 56522219
1-benzyl-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 86949730
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 120946487) is 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is O=C(NCC1CNCC1O)C1(C(F)(F)F)CCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is JPLCMMVDFNFBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)17(16(26)23-9-14-8-22-10-15(14)25)6-7-24(12-17)11-13-4-2-1-3-5-13/h1-5,14-15,22,25H,6-12H2,(H,23,26).
What are the key properties of 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120946487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).