(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide

C14H18FN3O2 — CID 124972311

IUPAC(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(N)=O
InChIInChI=1S/C14H18FN3O2/c1-10(19)18-7-6-17(9-13(18)14(16)20)8-11-4-2-3-5-12(11)15/h2-5,13H,6-9H2,1H3,(H2,16,20)/t13-/m1/s1
InChIKeyKCFSJOYEHVCFDF-CYBMUJFWSA-N
MW279.31 g/mol
LogP0.34
Rot. Bonds3

About (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide

(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide (PubChem CID 124972311) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
PubChem CID124972311
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(N)=O
InChIInChI=1S/C14H18FN3O2/c1-10(19)18-7-6-17(9-13(18)14(16)20)8-11-4-2-3-5-12(11)15/h2-5,13H,6-9H2,1H3,(H2,16,20)/t13-/m1/s1
InChIKeyKCFSJOYEHVCFDF-CYBMUJFWSA-N
XLogP0.34
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 95811271
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
(2S)-1-acetyl-4-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]piperazine-2-carboxamide
CID 125001338
(1,5-dimethylpyrazol-4-yl)-[(2S)-4-[(2-fluorophenyl)methyl]-2-propan-2-ylpiperazin-1-yl]methanone
CID 16671154
(6S)-1-[(2,3-difluorophenyl)methyl]-4-methyl-1,4-diazepane-6-carboxamide
CID 124969991
1-[4-[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837858
(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
CID 124980902
1-acetyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127245309
(2R)-1-acetyl-4-[3-(2-methoxyphenyl)propanoyl]piperazine-2-carboxamide
CID 125004165

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide (CID 124972311) is (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide is CC(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(N)=O.
What is the InChIKey of (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide?
The InChIKey is KCFSJOYEHVCFDF-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-10(19)18-7-6-17(9-13(18)14(16)20)8-11-4-2-3-5-12(11)15/h2-5,13H,6-9H2,1H3,(H2,16,20)/t13-/m1/s1.
What are the key properties of (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide?
(2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide has a molecular weight of 279.31 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-4-[(2-fluorophenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 124972311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).