2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C17H18F3N5O — CID 2518238

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-4-1-2-5-14(13)23-15(26)12-24-8-10-25(11-9-24)16-21-6-3-7-22-16/h1-7H,8-12H2,(H,23,26)
InChIKeyUKDGUEBVEODXPG-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.26
Rot. Bonds4

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 2518238) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID2518238
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C17H18F3N5O/c18-17(19,20)13-4-1-2-5-14(13)23-15(26)12-24-8-10-25(11-9-24)16-21-6-3-7-22-16/h1-7H,8-12H2,(H,23,26)
InChIKeyUKDGUEBVEODXPG-UHFFFAOYSA-N
XLogP2.26
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-Difluorophenyl)-4-(2-pyridinyl)-1-piperazineacetamide
CID 3547487
C-1368
CID 9549303
8-Ethyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330223
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51
CID 5330237
Pyrido[2,3-d]pyrimidin-7-one 13
CID 5330340
Pyrido[2,3-d]pyrimidin-7-one 27
CID 5330354
Syk Inhibitor II
CID 9549296
(3s)-1-{(2s)-2-Cyclohexyl-2-[(N-Methyl-L-Alanyl)amino]acetyl}-3-Methyl-N-(2-Pyrimidin-2-Ylphenyl)-L-Prolinamide
CID 42609700
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
(3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
CID 155289198
Uzh2
CID 156587343
4-[4-[(4,4-Dimethylpiperidin-1-yl)methyl]-2-fluoranyl-phenyl]-9-[6-(methylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one
CID 156587344

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 2518238) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(c2ncccn2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is UKDGUEBVEODXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c18-17(19,20)13-4-1-2-5-14(13)23-15(26)12-24-8-10-25(11-9-24)16-21-6-3-7-22-16/h1-7H,8-12H2,(H,23,26).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 365.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2518238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).