3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

C13H17F3N4O — CID 38559713

IUPAC3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-1-2-12(18-9-10)20-7-5-19(6-8-20)4-3-11(17)21/h1-2,9H,3-8H2,(H2,17,21)
InChIKeyDZFUTSRFVLVWCW-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.10
Rot. Bonds4

About 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (PubChem CID 38559713) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
PubChem CID38559713
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESNC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)10-1-2-12(18-9-10)20-7-5-19(6-8-20)4-3-11(17)21/h1-2,9H,3-8H2,(H2,17,21)
InChIKeyDZFUTSRFVLVWCW-UHFFFAOYSA-N
XLogP1.10
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]hexan-3-one
CID 91252320
N,N-dimethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanamine
CID 174557120
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
2,2,2-trifluoroethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 47085107
N,N-diethyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 78788187
4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]benzamide
CID 30863667
1-(2-pyrazol-1-ylethyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 47521346
6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridin-3-amine
CID 2741603
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-methyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 51561809
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The IUPAC name of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (CID 38559713) is 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.
What is the SMILES notation for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The canonical SMILES for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is NC(=O)CCN1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The InChIKey is DZFUTSRFVLVWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)10-1-2-12(18-9-10)20-7-5-19(6-8-20)4-3-11(17)21/h1-2,9H,3-8H2,(H2,17,21).
What are the key properties of 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide has a molecular weight of 302.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 38559713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).