N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

C18H20F3N5O2 — CID 95724971

IUPACN-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1ncc[nH]1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)11-26-7-6-24-17(28)14(26)9-16(27)25-10-15-22-4-5-23-15/h1-5,8,14H,6-7,9-11H2,(H,22,23)(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyWQFHDJPPUDAORD-AWEZNQCLSA-N
MW395.39 g/mol
LogP1.44
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide

N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (PubChem CID 95724971) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
PubChem CID95724971
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1ncc[nH]1
InChIInChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)11-26-7-6-24-17(28)14(26)9-16(27)25-10-15-22-4-5-23-15/h1-5,8,14H,6-7,9-11H2,(H,22,23)(H,24,28)(H,25,27)/t14-/m0/s1
InChIKeyWQFHDJPPUDAORD-AWEZNQCLSA-N
XLogP1.44
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
N-(3-hydroxypropyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95715738
2-[(2S)-1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1H-imidazol-2-ylmethyl)acetamide
CID 95727216
N-(2-methoxyethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56888571
2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-propan-2-ylacetamide
CID 95726046
2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide
CID 45211424
(3S)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 95725542
N-ethyl-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 45221000
2-[(2S)-1-benzyl-3-oxopiperazin-2-yl]-N-(pyrimidin-4-ylmethyl)acetamide
CID 26334660
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-(1-benzyl-3-oxopiperazin-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 45206372
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide (CID 95724971) is N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is O=C(C[C@H]1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1)NCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
The InChIKey is WQFHDJPPUDAORD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20F3N5O2/c19-18(20,21)13-3-1-2-12(8-13)11-26-7-6-24-17(28)14(26)9-16(27)25-10-15-22-4-5-23-15/h1-5,8,14H,6-7,9-11H2,(H,22,23)(H,24,28)(H,25,27)/t14-/m0/s1.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide?
N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide has a molecular weight of 395.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 95724971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).