N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide

C19H34F3N3O — CID 45252513

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C19H34F3N3O/c1-2-25-12-3-5-17(25)15-23-18(26)7-6-16-8-13-24(14-9-16)11-4-10-19(20,21)22/h16-17H,2-15H2,1H3,(H,23,26)
InChIKeyWVJYPGPJOSLSTR-UHFFFAOYSA-N
MW377.50 g/mol
LogP3.42
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide (PubChem CID 45252513) has the molecular formula C19H34F3N3O and a molecular weight of 377.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide
PubChem CID45252513
Molecular FormulaC19H34F3N3O
Molecular Weight377.50 g/mol
Exact Mass377.27
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(CCCC(F)(F)F)CC1
InChIInChI=1S/C19H34F3N3O/c1-2-25-12-3-5-17(25)15-23-18(26)7-6-16-8-13-24(14-9-16)11-4-10-19(20,21)22/h16-17H,2-15H2,1H3,(H,23,26)
InChIKeyWVJYPGPJOSLSTR-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-[1-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl]acetamide
CID 97254994
1-[4-[2-(2,5-Dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 120154789
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]cyclopentanecarboxamide
CID 49061001
2-(2-Oxo-4-propylpyrrolidin-1-yl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 57478765
(S)-(4,4-difluorocyclohexyl)(2-methylpiperazin-1-yl)methanone
CID 57657633
1-[2-(Aminomethyl)pyrrolidin-1-yl]-2,2-difluoro-4-methylpentan-1-one
CID 57700632
1-(2,8-Diazaspiro[4.5]decan-2-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700641
1-(2,8-Diazaspiro[4.5]decan-8-yl)-2,2-difluoro-4-methylpentan-1-one
CID 57700826
(2S)-2-amino-1-(3,3-difluoropyrrolidin-1-yl)-6-(2-methylbutylamino)hexan-1-one
CID 59659356
(5R)-5-[(4,4-difluoropiperidin-1-yl)methyl]-3,3-dimethylpyrrolidin-2-one
CID 67157516
[(2S)-4,4-difluoropyrrolidin-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 68260773
[(2S)-4,4-difluoropyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 68260845

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide (CID 45252513) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(CCCC(F)(F)F)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide?
The InChIKey is WVJYPGPJOSLSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3O/c1-2-25-12-3-5-17(25)15-23-18(26)7-6-16-8-13-24(14-9-16)11-4-10-19(20,21)22/h16-17H,2-15H2,1H3,(H,23,26).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide has a molecular weight of 377.50 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).