N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide

C19H26FN3O2 — CID 42195762

IUPACN-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-4-22(12-14(2)3)18(24)11-17-19(25)21-9-10-23(17)13-15-5-7-16(20)8-6-15/h5-8,17H,2,4,9-13H2,1,3H3,(H,21,25)/t17-/m0/s1
InChIKeyCBYCTPRUZHNHRL-KRWDZBQOSA-N
MW347.43 g/mol
LogP1.94
Rot. Bonds7

About N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide

N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide (PubChem CID 42195762) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
PubChem CID42195762
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-4-22(12-14(2)3)18(24)11-17-19(25)21-9-10-23(17)13-15-5-7-16(20)8-6-15/h5-8,17H,2,4,9-13H2,1,3H3,(H,21,25)/t17-/m0/s1
InChIKeyCBYCTPRUZHNHRL-KRWDZBQOSA-N
XLogP1.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
methyl 2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 29231924
2-[1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(prop-2-enyl)acetamide
CID 45169246
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
2-[(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N,N-bis(2-hydroxyethyl)acetamide
CID 95719798
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
N,N-diethyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 95723381
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N-[(4-fluorophenyl)methyl]-2-[(2R)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 95708333
ethyl 2-[(2R)-1-[(4-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 1382900
N,N-diethyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 95711244
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[(2R)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95717377

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide (CID 42195762) is N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is CBYCTPRUZHNHRL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-4-22(12-14(2)3)18(24)11-17-19(25)21-9-10-23(17)13-15-5-7-16(20)8-6-15/h5-8,17H,2,4,9-13H2,1,3H3,(H,21,25)/t17-/m0/s1.
What are the key properties of N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide?
N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 347.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2S)-1-[(4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 42195762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).