(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide

C15H20FN3O2 — CID 124946093

IUPAC(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-11(20)18-7-8-19(14(10-18)15(21)17-2)9-12-5-3-4-6-13(12)16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyBVUSCTRQWUMTSF-AWEZNQCLSA-N
MW293.34 g/mol
LogP0.60
Rot. Bonds3

About (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide

(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide (PubChem CID 124946093) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
PubChem CID124946093
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1ccccc1F
InChIInChI=1S/C15H20FN3O2/c1-11(20)18-7-8-19(14(10-18)15(21)17-2)9-12-5-3-4-6-13(12)16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1
InChIKeyBVUSCTRQWUMTSF-AWEZNQCLSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
1-[(3-fluoro-2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 112616195
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[4-[(3S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 100837858
(2S,4S)-1-[(2-fluorophenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 129381448
1-acetyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-6-carboxamide
CID 127245309
methyl 4-[(2-fluorophenyl)methyl]morpholine-3-carboxylate
CID 113247715
1-[(2-fluorophenyl)methyl]-N-methyl-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 127245395
1-acetyl-4-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1,4-diazepane-6-carboxamide
CID 127245448

Frequently Asked Questions

What is the IUPAC name of (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide (CID 124946093) is (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1ccccc1F.
What is the InChIKey of (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is BVUSCTRQWUMTSF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-11(20)18-7-8-19(14(10-18)15(21)17-2)9-12-5-3-4-6-13(12)16/h3-6,14H,7-10H2,1-2H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide?
(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124946093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).