N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C21H26F3N5O2 — CID 42596179

IUPACN-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H26F3N5O2/c1-15-25-8-11-28(15)10-4-7-26-19(30)13-18-20(31)27-9-12-29(18)14-16-5-2-3-6-17(16)21(22,23)24/h2-3,5-6,8,11,18H,4,7,9-10,12-14H2,1H3,(H,26,30)(H,27,31)/t18-/m1/s1
InChIKeyJOZFRLZUNYNYED-GOSISDBHSA-N
MW437.47 g/mol
LogP2.11
Rot. Bonds8

About N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 42596179) has the molecular formula C21H26F3N5O2 and a molecular weight of 437.47 g/mol. Its IUPAC name is N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID42596179
Molecular FormulaC21H26F3N5O2
Molecular Weight437.47 g/mol
Exact Mass437.20
IUPAC NameN-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESCc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C21H26F3N5O2/c1-15-25-8-11-28(15)10-4-7-26-19(30)13-18-20(31)27-9-12-29(18)14-16-5-2-3-6-17(16)21(22,23)24/h2-3,5-6,8,11,18H,4,7,9-10,12-14H2,1H3,(H,26,30)(H,27,31)/t18-/m1/s1
InChIKeyJOZFRLZUNYNYED-GOSISDBHSA-N
XLogP2.11
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45194109
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56706429
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56885196
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N-(3-methoxypropyl)-2-[1-[(2-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45212622
N-(2-acetamidoethyl)-2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56903638
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 42514577
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
N-(3-cyclopentylpropyl)-2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24819391
N-ethyl-N-(2-hydroxyethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45208008
2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 42193728

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 42596179) is N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is Cc1nccn1CCCNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is JOZFRLZUNYNYED-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26F3N5O2/c1-15-25-8-11-28(15)10-4-7-26-19(30)13-18-20(31)27-9-12-29(18)14-16-5-2-3-6-17(16)21(22,23)24/h2-3,5-6,8,11,18H,4,7,9-10,12-14H2,1H3,(H,26,30)(H,27,31)/t18-/m1/s1.
What are the key properties of N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 437.47 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylimidazol-1-yl)propyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 42596179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).