(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

C16H21F3N4O — CID 94810988

IUPAC(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H21F3N4O/c1-11(15(24)20-12-5-6-12)22-7-9-23(10-8-22)14-4-2-3-13(21-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyBRFWNXLXLCPOOD-LLVKDONJSA-N
MW342.37 g/mol
LogP1.89
Rot. Bonds4

About (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide

(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (PubChem CID 94810988) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
PubChem CID94810988
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(=O)NC1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H21F3N4O/c1-11(15(24)20-12-5-6-12)22-7-9-23(10-8-22)14-4-2-3-13(21-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3,(H,20,24)/t11-/m1/s1
InChIKeyBRFWNXLXLCPOOD-LLVKDONJSA-N
XLogP1.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
2-[4-(1-chloroethyl)piperidin-1-yl]-6-(trifluoromethyl)pyridine
CID 106838452
1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 608445
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 133434322
(2R)-N-cyclopropyl-2-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propanamide
CID 8710306
N-cyclopropyl-2-[4-[2-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]propanamide
CID 138033404
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
N-cyclopropyl-2-[4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 46681642
N-cyclopropyl-2-[4-[5-(pentan-3-ylsulfamoyl)-2-pyridinyl]piperazin-1-yl]propanamide
CID 55816286
[1-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-4-carbonyl]pyrrolidin-3-yl]carbamic acid
CID 69034315
(2R)-N-cyclopropyl-2-[4-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 52511508

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide (CID 94810988) is (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is C[C@H](C(=O)NC1CC1)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
The InChIKey is BRFWNXLXLCPOOD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-11(15(24)20-12-5-6-12)22-7-9-23(10-8-22)14-4-2-3-13(21-14)16(17,18)19/h2-4,11-12H,5-10H2,1H3,(H,20,24)/t11-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide?
(2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide has a molecular weight of 342.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 94810988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).