pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C16H15F3N4O — CID 2999969

IUPACpyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-4-5-14(21-11-12)22-7-9-23(10-8-22)15(24)13-3-1-2-6-20-13/h1-6,11H,7-10H2
InChIKeyHZUGUYRZSJLSPS-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.46
Rot. Bonds2

About pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 2999969) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID2999969
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Namepyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)12-4-5-14(21-11-12)22-7-9-23(10-8-22)15(24)13-3-1-2-6-20-13/h1-6,11H,7-10H2
InChIKeyHZUGUYRZSJLSPS-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

BPKDi
CID 46901383
N11-Ethyl-2,3,N5-trimethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453341
4-Pyrimidinecarboxamide,2-amino-6-phenyl-n-(2-pyridinylmethyl)-
CID 44520942
Pyrimidine-4,6-dicarboxylic acid bis-((pyridin-3-ylmethyl)-amide)
CID 5289111
4-fluoro-N-[2-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]ethyl]benzamide
CID 11741442
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethyl-pyridin-2-yl)-methanone
CID 25126154
2''-Phenylamino-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Methyl Amide
CID 46901384
2-Piperazin-1-yl-6-[2-(propan-2-ylamino)-4-pyridinyl]pyridine-4-carboxamide
CID 46901542
1-(4-Methylbenzoyl)-4-(2-pyridinyl)piperazine
CID 706998
Piperazine-1,4-diylbis(pyridin-2-ylmethanone)
CID 258989
Usl-311
CID 56961879
2,N5-Dimethyl-N11-ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453325

Frequently Asked Questions

What is the IUPAC name of pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 2999969) is pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ccccn1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is HZUGUYRZSJLSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)12-4-5-14(21-11-12)22-7-9-23(10-8-22)15(24)13-3-1-2-6-20-13/h1-6,11H,7-10H2.
What are the key properties of pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 336.32 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-yl-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 2999969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).