N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C17H25FN4O2 — CID 95725614

IUPACN-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN4O2/c1-21(2)8-6-19-16(23)11-15-17(24)20-7-9-22(15)12-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyWXVCDVFNOIQOSH-HNNXBMFYSA-N
MW336.41 g/mol
LogP0.19
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 95725614) has the molecular formula C17H25FN4O2 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID95725614
Molecular FormulaC17H25FN4O2
Molecular Weight336.41 g/mol
Exact Mass336.20
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C17H25FN4O2/c1-21(2)8-6-19-16(23)11-15-17(24)20-7-9-22(15)12-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1
InChIKeyWXVCDVFNOIQOSH-HNNXBMFYSA-N
XLogP0.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[(2R)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetyl]amino]propanamide
CID 95716172
N-[2-(3-fluorophenyl)ethyl]-2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 45249769
N-[2-(3-fluorophenyl)ethyl]-2-[(2R)-1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 42393367
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 46968283
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-methylcyclobutyl)acetamide
CID 46970496
2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 26394507
2-[1-[(4-ethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 45185305
2-[1-[(3,4-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-propylacetamide
CID 56884384
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
N-[2-(diethylamino)ethyl]-2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 51901313
2-[1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(3-phenylpropyl)acetamide
CID 45174392

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 95725614) is N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is CN(C)CCNC(=O)C[C@H]1C(=O)NCCN1Cc1cccc(F)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is WXVCDVFNOIQOSH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25FN4O2/c1-21(2)8-6-19-16(23)11-15-17(24)20-7-9-22(15)12-13-4-3-5-14(18)10-13/h3-5,10,15H,6-9,11-12H2,1-2H3,(H,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 336.41 g/mol, XLogP of 0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(2S)-1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 95725614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).